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CAS Number: 21080-85-3
5-cyclopropylisoxazol-3-amine

Structure

5-cyclopropylisoxazol-3-amine
Name: 5-cyclopropylisoxazol-3-amine
Synonyms:
General Information
Product Number: 21080853
CAS Registry Number: 21080-85-3
Name:
        3-​Isoxazolamine, 5-​cyclopropyl-
        Isoxazole, 3-​amino-​5-​cyclopropyl- (8CI); 3-​Amino-​5-​cyclopropylisoxazole 
 
Chemical Formula: C6H8N2O
Exact Mass: 124.06
Molecular Weight: 124.14
m/z: 124.06 (100.0%), 125.07 (6.6%)
Elemental Analysis: C, 58.05; H, 6.50; N, 22.57; O, 12.89
 
InChI: InChI=1S/C6H8N2O/c7-6-3-5(9-8-6)4-1-2-4/h3-4H,1-2H2,(H2,7,8)
InChIKey: VIFVLPWELQGBKF-UHFFFAOYSA-N
Canonical SMILES : C1CC1C2=CC(=NO2)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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