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CAS Number: 55809-36-4
5-(tert-butyl)isoxazol-3-amine

Structure

5-(tert-butyl)isoxazol-3-amine
Name: 5-(tert-butyl)isoxazol-3-amine
Synonyms:
General Information
Product Number: 55809364
CAS Registry Number: 55809-36-4
Name:
 
        3-​Isoxazolamine, 5-​(1,​1-​dimethylethyl)​-
        3-​Amino-​5-​t-​butylisoxazole; 3-​Amino-​5-​tert-​butylisoxazole; 5-​(1,​1-​Dimethylethyl)​-​3-​isoxazolamine; 5-​(tert-​Butyl)​isoxazole-​3-​amine; 5-​tert-​Butyl-​3-​aminoisoxazole; 5-​tert-​Butylisoxazol-​3-​amine; 5-​tert-​Butylisoxazol-​3-​ylamine 
 
Chemical Formula: C7H12N2O
Exact Mass: 140.09
Molecular Weight: 140.18
m/z: 140.09 (100.0%), 141.10 (7.7%)
Elemental Analysis: C, 59.98; H, 8.63; N, 19.98; O, 11.41
 
InChI: InChI=1S/C7H12N2O/c1-7(2,3)5-4-6(8)9-10-5/h4H,1-3H3,(H2,8,9)
InChIKey: GGXGVZJHUKEJHO-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C)C1=CC(=NO1)N
 
Thermal Properties Value Condition Note
Melting Point 120-121 °C   (3)CAS
Melting Point 120-121 °C   (4)CAS
Melting Point 120-121 °C   (5)CAS
Melting Point 109 °C (decomp)   (6)CAS

Specification

98%

References
  1. (1) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
  2. (2) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  3. (3) Chen, Zhimin; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy 2007, V68A(3), P918-926 CAPLUS
  4. (4) Chen, Zhimin; Dyes and Pigments 2007, V76(3), P624-631 CAPLUS
  5. (5) Chen, Zhimin; Dyes and Pigments 2010, V86(1), P42-49 CAPLUS
  6. (6) Huang, Fuxin; Dyes and Pigments 2005, V66(1), P77-82 CAPLUS
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