Cas no 5053-63-4 (3-Amino-1-phenylpropan-1-ol)
3-Amino-1-phenylpropan-1-ol Chemical and Physical Properties
Names and Identifiers
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- 3-Amino-1-phenylpropan-1-ol
- 3-Phenyl-3-hydroxypropylamine
- 3-Amino-1-phenyl-propan-1-ol
- 3-Amino-1-phenyl-propanol
- (1S)-3-amino-1-phenyl-propan-1-ol
- AKOS016344069
- 3-amino-1-phenyl-propan-1-ol, AldrichCPR
- DA-05393
- 5053-63-4
- SB32681
- alpha-(2-aminoethyl)benzenemethanol
- PHIYHIOQVWTXII-UHFFFAOYSA-N
- 3-azanyl-1-phenyl-propan-1-ol
- EN300-92208
- SB37406
- alpha-(2-aminoethyl)benzylalcohol
- a-(2-Aminoethyl)benzenemethanol
- SB33258
- F2189-0583
- 3-amino-1-phenyl-1-propanol
- 1-Phenyl-1-hydroxy-3-aminopropane
- alpha(2-aminoethyl)benzylalcohol
- MFCD00039784
- AKOS004121810
- DTXSID80964752
- (1R)-3-amino-1-phenyl-propan-1-ol
- A828160
- 3-Hydroxy-3-phenylpropylamine
- SCHEMBL42066
- SCHEMBL5164372
- Z1020673398
- BS-24911
- SY110231
-
- MDL： MFCD00039784
- Inchi： 1S/C9H13NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2
- InChI Key： PHIYHIOQVWTXII-UHFFFAOYSA-N
- SMILES： OC(C1C=CC=CC=1)CCN
Computed Properties
- Exact Mass: 151.10000
- Monoisotopic Mass: 151.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 99.7
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.5
- Topological Polar Surface Area: 46.2?2
Experimental Properties
- Color/Form: Yellow to Brown Sticky Oil to Solid
- Density: 1.1±0.1 g/cm3
- Melting Point: 50-53°C
- Boiling Point: 293.0±28.0 °C at 760 mmHg
- Flash Point: 131.0±24.0 °C
- PSA: 46.25000
- LogP: 1.76910
- Vapor Pressure: 0.0±0.6 mmHg at 25°C
3-Amino-1-phenylpropan-1-ol Security Information
- Signal Word：Danger
- Hazard Statement： H302;H318
- Warning Statement： P280;P305+P351+P338
- Hazard Category Code： 22-41
- Safety Instruction： 26-39
-
Hazardous Material Identification：
- Storage Condition：2-8 °C
3-Amino-1-phenylpropan-1-ol Customs Data
- HS CODE：2922199090
- Customs Data：
China Customs Code:
2922199090Overview:
2922199090. Other amino alcohols and their ethers,Esters and their salts(Except those containing more than one oxygen-containing group). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared
Summary:
2922199090. other amino-alcohols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
3-Amino-1-phenylpropan-1-ol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 048134-250mg |
3-Amino-1-phenyl-propanol |
5053-63-4 | 95% | 250mg |
￡61.00 | 2022-03-01 | |
| Fluorochem | 048134-1g |
3-Amino-1-phenyl-propanol |
5053-63-4 | 95% | 1g |
￡107.00 | 2022-03-01 | |
| Fluorochem | 048134-5g |
3-Amino-1-phenyl-propanol |
5053-63-4 | 95% | 5g |
￡364.00 | 2022-03-01 | |
| AstaTech | 20164-0.25/G |
3-AMINO-1-PHENYL-PROPANOL |
5053-63-4 | 97% | 0.25g |
$65 | 2023-09-18 | |
| AstaTech | 20164-1/G |
3-AMINO-1-PHENYL-PROPANOL |
5053-63-4 | 97% | 1g |
$125 | 2023-09-18 | |
| AstaTech | 20164-5/G |
3-AMINO-1-PHENYL-PROPANOL |
5053-63-4 | 97% | 5g |
$375 | 2023-09-18 | |
| Alichem | A019122617-10g |
3-Amino-1-phenylpropan-1-ol |
5053-63-4 | 95% | 10g |
$450.00 | 2023-09-01 | |
| JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd. | 20R0194-1g |
3-Amino-1-phenyl-propan-1-ol |
5053-63-4 | 95% | 1g |
678.43CNY | 2021-05-08 | |
| JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd. | 20R0194-5g |
3-Amino-1-phenyl-propan-1-ol |
5053-63-4 | 95% | 5g |
2459.32CNY | 2021-05-08 | |
| JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd. | 20R0194-25g |
3-Amino-1-phenyl-propan-1-ol |
5053-63-4 | 95% | 25g |
8463.46CNY | 2021-05-08 |
3-Amino-1-phenylpropan-1-ol Suppliers
Audited Supplier
3-Amino-1-phenylpropan-1-ol Related Literature
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
Additional information on 3-Amino-1-phenylpropan-1-ol
Comprehensive Overview of 3-Amino-1-phenylpropan-1-ol (CAS No. 5053-63-4): Properties, Applications, and Industry Insights
3-Amino-1-phenylpropan-1-ol (CAS No. 5053-63-4) is an organic compound with significant relevance in pharmaceutical and chemical research. This amino alcohol derivative features a phenyl group and a primary amine, making it a versatile intermediate in synthetic chemistry. Its molecular structure, C9H13NO, combines aromatic and aliphatic properties, enabling diverse reactivity patterns. Researchers often explore its role in chiral synthesis and drug precursor development due to its stereocenter and functional group compatibility.
In recent years, the demand for 3-Amino-1-phenylpropan-1-ol has surged alongside advancements in small molecule therapeutics and biocatalysis. A 2023 study highlighted its utility in designing CNS-targeting compounds, aligning with growing interest in neurological drug discovery. The compound's logP value (approximately 1.2) and water solubility profile make it particularly valuable for optimizing blood-brain barrier permeability—a hot topic in neuropharmacology forums.
From a synthetic perspective, 5053-63-4 serves as a building block for beta-adrenergic ligands and antidepressant analogs. Its amino alcohol moiety frequently appears in patents describing dopamine receptor modulators, reflecting industry focus on neurotransmitter-targeted drugs. Analytical techniques like HPLC purity testing and chiral separation are critical for quality control, as enantiomeric purity directly impacts biological activity—a key consideration for researchers searching "how to determine enantiomeric excess of amino alcohols".
The compound's stability under Schotten-Baumann conditions allows efficient amide coupling reactions, addressing common queries about "best practices for amino alcohol acylation". Recent innovations in continuous flow chemistry have further enhanced its synthetic accessibility, with several publications demonstrating high-yield reductive amination protocols starting from 3-hydroxypropiophenone—another trending search term among organic chemists.
Environmental and regulatory aspects of 3-Amino-1-phenylpropan-1-ol production have gained attention, particularly regarding green chemistry metrics. A 2024 review noted its compatibility with biodegradable catalysts, responding to industry demands for sustainable synthetic routes. This aligns with frequent searches for "eco-friendly amino alcohol synthesis" and "reducing E-factors in pharmaceutical intermediates".
In material science, the compound's hydrogen bonding capacity enables applications in molecular imprinting polymers (MIPs)—a technique increasingly searched in connection with sensor development. Its crystalline form has been characterized by X-ray diffraction, providing structural insights valuable for computational chemistry teams modeling ligand-protein interactions.
Market analysts note steady growth in the 5053-63-4 segment, driven by expanding contract research organizations (CROs) and generic API production. Quality specifications typically require ≥98% purity (HPLC), with strict controls on residual solvents—a critical parameter for buyers comparing "GMP vs. standard grade amino alcohols". Storage recommendations emphasize protection from oxidative degradation under inert atmosphere, addressing common stability concerns.
Emerging applications include its use as a template for asymmetric organocatalysts, particularly in Michael addition reactions—a technique dominating recent organic methodology publications. The compound's dual functionality also makes it valuable for developing multicomponent reaction systems, a trending topic in click chemistry discussions.
Spectroscopic characterization of 3-Amino-1-phenylpropan-1-ol reveals distinctive NMR peaks (δ 7.3-7.5 ppm for aromatic protons, δ 3.8 ppm for the methine adjacent to OH) that facilitate reaction monitoring—information frequently sought in "amino alcohol NMR interpretation" queries. Mass spectrometry typically shows a strong [M+H]+ peak at m/z 152, important for LC-MS method development.
Future research directions may explore its potential in peptide mimetics and metal-organic frameworks (MOFs), areas generating substantial academic interest. With proper handling per laboratory safety protocols, this compound remains a valuable asset for researchers investigating structure-activity relationships in medicinal chemistry and beyond.
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