CAS Registry Number: 1072-67-9

Name:

3-​Isoxazolamine, 5-​methyl-
Isoxazole, 3-​amino-​5-​methyl- (6CI,​7CI,​8CI); 3-​Amino-​5-​methylisoxazole; 5-​Methyl-​1,​2-​oxazol-​3-​amine; 5-​Methyl-​3-​aminoisoxazole; 5-​Methyl-​3-​isoxazolamine; 5-​Methyl-​3-​isoxazolylamine; NSC 159134 

Deleted CAS Registry Numbers: 1195418-​99-​5

Chemical Formula: C4H6N2O
Exact Mass: 98.05
Molecular Weight: 98.10
m/z: 98.05 (100.0%), 99.05 (5.2%)

InChI: InChI=1S/C4H6N2O/c1-3-2-4(5)6-7-3/h2H,1H3,(H2,5,6)
InChIKey: FKPXGNGUVSHWQQ-UHFFFAOYSA-N
Canonical SMILES : CC1=CC(=NO1)N

Specification

98%

1. (1) Smith, Clive A.; Tetrahedron Letters 2009, V50(34), P4906-4911 CAPLUS
2. (2) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
3. (3) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
4. (4) Faure, Robert; Canadian Journal of Chemistry 1978, V56(1), P46-55 CAPLUS
5. (5) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
6. (6) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
7. (7) Nasuhoglu, Deniz; Journal of Hazardous Materials 2011, V186(1), P67-75 CAPLUS
8. (8) Kano, Hideo; JP 34005566 B4 1959 CAPLUS
9. (9) GB 814276 1959 CAPLUS