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1015845-80-3 | 1H-Pyrazole-4-methanamine, 1-methyl-N-(2-methylpropyl)-
CAS No: 1015845-80-3 Catalog No: AG0004V7 MDL No:MFCD08691488
Product Description
Catalog Number:
AG0004V7
Chemical Name:
1H-Pyrazole-4-methanamine, 1-methyl-N-(2-methylpropyl)-
CAS Number:
1015845-80-3
Molecular Formula:
C9H17N3
Molecular Weight:
167.2514
MDL Number:
MFCD08691488
IUPAC Name:
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
InChI:
InChI=1S/C9H17N3/c1-8(2)4-10-5-9-6-11-12(3)7-9/h6-8,10H,4-5H2,1-3H3
InChI Key:
SJSPCTOAIURCFH-UHFFFAOYSA-N
SMILES:
CC(CNCc1cnn(c1)C)C
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.142g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.256g/mol
Monoisotopic Mass:
167.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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