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179873-45-1 | Benzenemethanamine, 4-(1H-imidazol-1-yl)-N-methyl-
CAS No: 179873-45-1 Catalog No: AG0027B1 MDL No:MFCD07772795
Product Description
Catalog Number:
AG0027B1
Chemical Name:
Benzenemethanamine, 4-(1H-imidazol-1-yl)-N-methyl-
CAS Number:
179873-45-1
Molecular Formula:
C11H13N3
Molecular Weight:
187.2410
MDL Number:
MFCD07772795
IUPAC Name:
1-(4-imidazol-1-ylphenyl)-N-methylmethanamine
InChI:
InChI=1S/C11H13N3/c1-12-8-10-2-4-11(5-3-10)14-7-6-13-9-14/h2-7,9,12H,8H2,1H3
InChI Key:
VZIBQMZVUZDSFA-UHFFFAOYSA-N
SMILES:
CNCc1ccc(cc1)n1ccnc1
Properties
Complexity:
164
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:
3
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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