200,000+ products from a single source!
sales@angenechem.com
158001-28-6 | 1H-Pyrazole-4-carbonitrile, 5-amino-1-(1,1-dimethylethyl)-
CAS No: 158001-28-6 Catalog No: AG001PWT MDL No:MFCD00128289
Product Description
Catalog Number:
AG001PWT
Chemical Name:
1H-Pyrazole-4-carbonitrile, 5-amino-1-(1,1-dimethylethyl)-
CAS Number:
158001-28-6
Molecular Formula:
C8H12N4
Molecular Weight:
164.2077
MDL Number:
MFCD00128289
IUPAC Name:
5-amino-1-tert-butylpyrazole-4-carbonitrile
InChI:
InChI=1S/C8H12N4/c1-8(2,3)12-7(10)6(4-9)5-11-12/h5H,10H2,1-3H3
InChI Key:
WXEIWFYQLJCWSP-UHFFFAOYSA-N
SMILES:
N#Cc1cnn(c1N)C(C)(C)C
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.106g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.212g/mol
Monoisotopic Mass:
164.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.