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CAS Number: 55809-38-6
5-isopropylisoxazol-3-amine

Structure

5-isopropylisoxazol-3-amine
Name: 5-isopropylisoxazol-3-amine
Synonyms:
General Information
Product Number: 55809386
CAS Registry Number: 55809-38-6
Name:
 
        3-​Isoxazolamine, 5-​(1-​methylethyl)​-
        3-​Amino-​5-​isopropylisoxazole; 5-​Isopropylisoxazol-​3-​amine 
 
Chemical Formula: C6H10N2O
Exact Mass: 126.08
Molecular Weight: 126.16
m/z: 126.08 (100.0%), 127.08 (7.3%)
Elemental Analysis: C, 57.12; H, 7.99; N, 22.21; O, 12.68
 
InChI: InChI=1S/C6H10N2O/c1-4(2)5-3-6(7)8-9-5/h3-4H,1-2H3,(H2,7,8)
InChIKey: AKJAMSGDZPHREW-UHFFFAOYSA-N
Canonical SMILES : CC(C)C1=CC(=NO1)N

Specification

98%

References
  1. (1) Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2014 ACD/Labs)
  2. (2) Predicted NMR data calculated using Advanced Chemistry Development, Inc. (ACD/Labs) Software V11.01 (© 1994-2014 ACD/Labs)
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