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876717-29-2 | Benzenemethanamine,2-(2-methyl-1H-imidazol-1-yl)-
CAS No: 876717-29-2 Catalog No: AG004H63 MDL No:MFCD07365240
Product Description
Catalog Number:
AG004H63
Chemical Name:
Benzenemethanamine,2-(2-methyl-1H-imidazol-1-yl)-
CAS Number:
876717-29-2
Molecular Formula:
C11H13N3
Molecular Weight:
187.2410
MDL Number:
MFCD07365240
IUPAC Name:
[2-(2-methylimidazol-1-yl)phenyl]methanamine
InChI:
InChI=1S/C11H13N3/c1-9-13-6-7-14(9)11-5-3-2-4-10(11)8-12/h2-7H,8,12H2,1H3
InChI Key:
JCHDRPRQPSKZQK-UHFFFAOYSA-N
SMILES:
NCc1ccccc1n1ccnc1C
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:
0.9
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