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CAS Number: 82560-12-1
5-(tert-butyl)-1H-pyrazol-3-amine

Structure

5-(tert-butyl)-1H-pyrazol-3-amine
Name: 5-(tert-butyl)-1H-pyrazol-3-amine
Synonyms:
General Information
Product Number: 82560121
CAS Registry Number: 82560-12-1
Name:
        1H-​Pyrazol-​3-​amine, 5-​(1,​1-​dimethylethyl)​-
        3-​Amino-​5-​tert-​butyl-​1H-​pyrazole; 3-​Amino-​5-​tert-​butylpyrazole; 3-​tert-​Butyl-​1H-​pyrazol-​3-​amine; 3-​tert-​Butyl-​2H-​pyrazol-​5-​amine; 3-​tert-​Butyl-​5-​aminopyrazole; 5-​Amino-​3-​tert-​butyl-​1H-​pyrazole; 5-​Amino-​3-​tert-​butylpyrazole; 5-​tert-​Butyl-​1H-​pyrazol-​3-​amine; 5-​tert-​Butyl-​1H-​pyrazol-​3-​ylamine; 5-​tert-​Butylpyrazole-​3-​amine 
        Alternate CAS Registry Numbers: 1237537-54-0
        Deleted CAS Registry Numbers: 106985-​65-​3, 108465-​88-​9, 110086-​09-​4, 128726-​21-​6, 149246-​89-​9, 152828-​22-​3, 159977-​09-​0, 177727-​24-​1, 180483-​96-​9, 188673-​49-​6, 229003-​20-​7, 358350-​59-​1, 494834-​43-​4, 709653-​76-​9, 945538-​36-​3, 947600-​97-​7, 1028842-​78-​5, 1201223-​95-​1
 
Chemical Formula: C7H13N3
Exact Mass: 139.11
Molecular Weight: 139.20
m/z: 139.11 (100.0%), 140.11 (8.7%)
Elemental Analysis: C, 60.40; H, 9.41; N, 30.19
 
InChI: InChI=1S/C7H13N3/c1-7(2,3)5-4-6(8)10-9-5/h4H,1-3H3,(H3,8,9,10)
InChIKey: ZHBXGHWSVIBUCQ-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C)C1=CC(=NN1)N
 
Thermal Properties Value Condition Note
Melting Point 80 °C   (2)IC
Melting Point See full text   (4)CAS
 

Specification

98%

References
  1. (1) Suryakiran, N.; Journal of Molecular Catalysis A: Chemical 2006, V258(1-2), P371-375 CAPLUS
  2. (2) Magee, W. L.; Journal of Organic Chemistry 1987, V52(25), P5538-48 CAPLUS
  3. (3) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  4. (4) Bagley, Mark C.; Organic & Biomolecular Chemistry 2006, V4(22), P4158-4164 CAPLUS
  5. (5) ACD: Spectral data were obtained from Advanced Chemistry Development, Inc.
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