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1006951-29-6 | 2-(4-Methyl-pyrazol-1-yl)-benzylamine
CAS No: 1006951-29-6 Catalog No: AG01FCUU MDL No:
Product Description
Catalog Number:
AG01FCUU
Chemical Name:
2-(4-Methyl-pyrazol-1-yl)-benzylamine
CAS Number:
1006951-29-6
Molecular Formula:
C11H13N3
Molecular Weight:
187.2410
IUPAC Name:
[2-(4-methylpyrazol-1-yl)phenyl]methanamine
InChI:
InChI=1S/C11H13N3/c1-9-7-13-14(8-9)11-5-3-2-4-10(11)6-12/h2-5,7-8H,6,12H2,1H3
InChI Key:
ANRIEZCCZPKDQI-UHFFFAOYSA-N
SMILES:
NCc1ccccc1n1ncc(c1)C
Properties
Complexity:
183
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:
1.1
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