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1554262-39-3 | 1H-Pyrazole-4-methanamine, N-methyl-α-phenyl-
CAS No: 1554262-39-3 Catalog No: AG001NW7 MDL No:
Product Description
Catalog Number:
AG001NW7
Chemical Name:
1H-Pyrazole-4-methanamine, N-methyl-α-phenyl-
CAS Number:
1554262-39-3
Molecular Formula:
C11H13N3
Molecular Weight:
187.2410
IUPAC Name:
N-methyl-1-phenyl-1-(1H-pyrazol-4-yl)methanamine
InChI:
InChI=1S/C11H13N3/c1-12-11(10-7-13-14-8-10)9-5-3-2-4-6-9/h2-8,11-12H,1H3,(H,13,14)
InChI Key:
QROAKOGFHAHSFO-UHFFFAOYSA-N
SMILES:
CNC(c1c[nH]nc1)c1ccccc1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.246g/mol
Monoisotopic Mass:
187.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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