Cas no 388072-12-6 (5-Isoxazolemethanamine,3-(2-methylpropyl)-)
5-Isoxazolemethanamine, 3-(2-methylpropyl)- is a heterocyclic amine compound featuring an isoxazole core substituted with a 2-methylpropyl group at the 3-position and an aminomethyl group at the 5-position. This structure imparts unique reactivity and potential utility in pharmaceutical and agrochemical applications, particularly as a versatile intermediate in organic synthesis. The presence of both the isoxazole ring and the primary amine functionality allows for further derivatization, enabling the development of targeted bioactive molecules. Its well-defined chemical properties and stability under standard conditions make it suitable for research and industrial-scale processes. The compound is typically handled under controlled conditions to ensure purity and consistency.
388072-12-6 structure
Product Name:5-Isoxazolemethanamine,3-(2-methylpropyl)-
CAS No:388072-12-6
MF:C8H14N2O
MW:154.209561824799
CID:298829
PubChem ID:6484233
Update Time:2025-06-07
5-Isoxazolemethanamine,3-(2-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 5-Isoxazolemethanamine,3-(2-methylpropyl)-
- 3-(2-Methylpropyl)-5-aminomethylisoxazole
- C-(3-Isobutyl-isoxazol-5-yl)-methylamine
- [3-(2-methylpropyl)-1,2-oxazol-5-yl]methanamine
- 388072-12-6
- (3-Isobutylisoxazol-5-yl)methanamine
- CHEMBL4593185
- AKOS000302784
- SCHEMBL3350172
-
- MDL： MFCD07643261
- Inchi： 1S/C8H14N2O/c1-6(2)3-7-4-8(5-9)11-10-7/h4,6H,3,5,9H2,1-2H3
- InChI Key： XQEQBJYRBWRLCS-UHFFFAOYSA-N
- SMILES： O1C(CN)=CC(CC(C)C)=N1
Computed Properties
- Exact Mass: 154.11072
- Monoisotopic Mass: 154.110613074g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 532
- 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: 4
- XLogP3: 4
- Topological Polar Surface Area: 52?2
Experimental Properties
- Density: 1.0±0.1 g/cm3
- Boiling Point: 256.6±25.0 °C at 760 mmHg
- Flash Point: 109.0±23.2 °C
- PSA: 52.05
- Vapor Pressure: 0.0±0.5 mmHg at 25°C
5-Isoxazolemethanamine,3-(2-methylpropyl)- Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
5-Isoxazolemethanamine,3-(2-methylpropyl)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM519448-1g |
(3-Isobutylisoxazol-5-yl)methanamine |
388072-12-6 | 97% | 1g |
$258 | 2023-01-07 | |
| Fluorochem | 059194-1g |
C-(3-Isobutyl-isoxazol-5-yl)-methylamine |
388072-12-6 | 1g |
￡224.00 | 2022-03-01 | ||
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1772497-1g |
(3-Isobutylisoxazol-5-yl)methanamine |
388072-12-6 | 98% | 1g |
￥1380.00 | 2024-05-15 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1772497-5g |
(3-Isobutylisoxazol-5-yl)methanamine |
388072-12-6 | 98% | 5g |
￥4924.00 | 2024-05-15 |
5-Isoxazolemethanamine,3-(2-methylpropyl)- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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