Cas no 17996-13-3 (4-(Z-Amino)-1-butanol)

4-(Z-Amino)-1-butanol is a versatile amino alcohol compound featuring both hydroxyl and amino functional groups, making it valuable for organic synthesis and pharmaceutical applications. Its bifunctional structure enables its use as a building block in the preparation of heterocycles, ligands, and bioactive molecules. The compound's primary amino group allows for further derivatization, while the hydroxyl group enhances solubility and reactivity in polar solvents. It is particularly useful in asymmetric synthesis and catalysis due to its potential chiral properties. Careful handling is recommended due to its reactive nature. High-purity grades ensure consistent performance in research and industrial processes.
4-(Z-Amino)-1-butanol structure
4-(Z-Amino)-1-butanol structure
Product Name:4-(Z-Amino)-1-butanol
CAS No:17996-13-3
MF:C12H17NO3
MW:223.268283605576
MDL:MFCD01861335
CID:122699
PubChem ID:57653706
Update Time:2025-10-28

4-(Z-Amino)-1-butanol Chemical and Physical Properties

Names and Identifiers

    • Benzyl (4-hydroxybutyl)carbamate
    • 4-(Z-Amino)-1-Butanol
    • BENZYL 4-HYDROXYBUTYLCARBAMATE
    • Carbamic acid,N-(4-hydroxybutyl)-, phenylmethyl ester
    • (4-hydroxybutyl)carbamic acid benzyl ester
    • 4-(N-benzyloxy-carbonyl)-aminobutanol
    • 4-(N-Cbz-amino)-1-butanol
    • 4-benzyloxycarbonylamino-1-butanol
    • 4-N-CBZ-AMINO-BUTAN-1-OL
    • N-[(phenylmethoxy)carbonyl]-4-hydroxybutylamine
    • N-phenylmethoxycarbonyl-4-aminobutan-1-ol
    • N-(4-Hydroxybutyl)carbamic acid benzyl ester
    • [4-(Benzyloxycarbonyl)amino]-1-butanol
    • 4-(Carbobenzoxyamino)-1-butanol
    • Z-ABU(4)-OL
    • Z-NH-(CH2)4-OH
    • Benzyl (4-hydroxybutyl)
    • N-Cbz-4-hydroxybutanamine
    • N-CARBOBENZOXY-4-AMINO-1-BUTANOL
    • BENZYL N-(4-HYDROXYBUTYL)CARBAMATE
    • A848516
    • SCHEMBL667447
    • CS-16313
    • CS-0095264
    • (4-Hydroxy-butyl)-carbamic acid benzyl ester;4-N-CBZ-AMINO-BUTAN-1-OL
    • 17996-13-3
    • DTXSID90391853
    • AKOS022172373
    • SY238997
    • 4-(Z-Amino)-1-butanol, >=98.0% (HPLC)
    • J-011485
    • 4-(Cbz-amino)-1-butanol
    • Carbamic acid, N-(4-hydroxybutyl)-, phenylmethyl ester
    • MFCD01861335
    • A1-26772
    • BNFLPFDVXGOHJY-UHFFFAOYSA-N
    • (4-Hydroxy-butyl)-carbamic acid benzyl ester
    • Carbamic acid, (4-hydroxybutyl)-, phenylmethyl ester
    • EN300-192213
    • SB79608
    • Benzyl(4-hydroxybutyl)carbamate
    • DB-123111
    • 623-745-9
    • DTXCID40342714
    • SAA99613
    • 4-(Z-Amino)-1-butanol
    • MDL: MFCD01861335
    • Inchi: 1S/C12H17NO3/c14-9-5-4-8-13-12(15)16-10-11-6-2-1-3-7-11/h1-3,6-7,14H,4-5,8-10H2,(H,13,15)
    • InChI Key: BNFLPFDVXGOHJY-UHFFFAOYSA-N
    • SMILES: O(C(NCCCCO)=O)CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 223.12100
  • Monoisotopic Mass: 223.121
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 8
  • Complexity: 191
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 1.5
  • Topological Polar Surface Area: 58.6A^2

Experimental Properties

  • Color/Form: White to Yellow Solid
  • Density: 1.127
  • Melting Point: 81-84?°C
  • Boiling Point: 397.1±35.0 °C at 760 mmHg
  • Flash Point: 163.0±13.2 °C
  • Refractive Index: 1.53
  • PSA: 58.56000
  • LogP: 2.07620
  • Solubility: Not determined

4-(Z-Amino)-1-butanol Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H302-H319
  • Warning Statement: P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 22-36
  • Safety Instruction: S26
  • Hazardous Material Identification: Xn
  • Risk Phrases:R22; R36
  • Storage Condition:2-8 °C

4-(Z-Amino)-1-butanol Customs Data

  • HS CODE:2924299090
  • Customs Data:

    China Customs Code:

    2924299090

    Overview:

    2924299090. Other cyclic amides(Including cyclic carbamates)(Including their derivatives as well as their salts). 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, packing

    Summary:

    2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

4-(Z-Amino)-1-butanol Pricemore >>

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4-(Z-Amino)-1-butanol Related Literature

Additional information on 4-(Z-Amino)-1-butanol

4-(Z-Amino)-1-butanol (CAS No. 17996-13-3): A Comprehensive Overview

4-(Z-Amino)-1-butanol, also known by its CAS registry number CAS No. 17996-13-3, is a versatile organic compound with significant applications in various fields, including pharmaceuticals, biotechnology, and materials science. This compound is characterized by its unique structure, which includes a butanol backbone and a Z-configured amino group. The Z configuration refers to the spatial arrangement of the amino group relative to the hydroxyl group on the butanol chain, making it distinct from its E-isomer counterpart.

The synthesis of 4-(Z-Amino)-1-butanol can be achieved through several methods, including enzymatic catalysis and chemical synthesis. Recent advancements in biocatalysis have enabled more efficient and environmentally friendly production processes. For instance, researchers have utilized engineered enzymes to achieve high enantioselectivity in the synthesis of this compound, which is particularly valuable for its use in chiral drug development.

In terms of applications, 4-(Z-Amino)-1-butanol has shown promise in the development of bioactive molecules. Its amino group allows for easy functionalization, making it a valuable intermediate in the synthesis of peptides, antibiotics, and other therapeutic agents. Recent studies have highlighted its role in the development of novel anticancer agents, where it serves as a key building block for constructing complex molecular architectures with desired pharmacokinetic properties.

Beyond pharmaceuticals, this compound has also found applications in biotechnology and materials science. For example, it has been used as a ligand in metalloenzyme mimicry and as a precursor for the synthesis of advanced materials such as polymers and nanoparticles. Its ability to form hydrogen bonds due to the hydroxyl and amino groups makes it particularly useful in these applications.

Recent research has also explored the use of 4-(Z-Amino)-1-butanol in green chemistry initiatives. Scientists have investigated its potential as a sustainable alternative to traditional chemical building blocks, emphasizing its compatibility with renewable feedstocks and energy-efficient synthesis methods. These studies underscore its role in promoting environmentally responsible chemical processes.

In conclusion, 4-(Z-Amino)-1-butanol (CAS No. 17996-13-3) is a multifaceted compound with a wide range of applications across various scientific disciplines. Its unique structure and functional groups make it an invaluable tool in drug discovery, biotechnology, and materials science. As research continues to uncover new possibilities for this compound, its significance in both academic and industrial settings is expected to grow further.

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