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876728-39-1 | 1H-Pyrazole-5-methanamine,1-methyl-3-phenyl-
CAS No: 876728-39-1 Catalog No: AG004H5W MDL No:MFCD08271943
Product Description
Catalog Number:
AG004H5W
Chemical Name:
1H-Pyrazole-5-methanamine,1-methyl-3-phenyl-
CAS Number:
876728-39-1
Molecular Formula:
C11H13N3
Molecular Weight:
187.2410
MDL Number:
MFCD08271943
IUPAC Name:
(2-methyl-5-phenylpyrazol-3-yl)methanamine
InChI:
InChI=1S/C11H13N3/c1-14-10(8-12)7-11(13-14)9-5-3-2-4-6-9/h2-7H,8,12H2,1H3
InChI Key:
XAVNJYHSYZUYFI-UHFFFAOYSA-N
SMILES:
NCc1cc(nn1C)c1ccccc1
Properties
Complexity:
177
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:
1
Isotope Atom Count:
0
Molecular Weight:
187.246g/mol
Monoisotopic Mass:
187.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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