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1311315-11-3 | Benzenemethanamine, 3-(1H-imidazol-1-yl)-
CAS No: 1311315-11-3 Catalog No: AG000VL9 MDL No:MFCD18917359
Product Description
Catalog Number:
AG000VL9
Chemical Name:
Benzenemethanamine, 3-(1H-imidazol-1-yl)-
CAS Number:
1311315-11-3
Molecular Formula:
C10H11N3
Molecular Weight:
173.2144
MDL Number:
MFCD18917359
IUPAC Name:
(3-imidazol-1-ylphenyl)methanamine
InChI:
InChI=1S/C10H11N3/c11-7-9-2-1-3-10(6-9)13-5-4-12-8-13/h1-6,8H,7,11H2
InChI Key:
XTMGJUHDNSODLY-UHFFFAOYSA-N
SMILES:
NCc1cccc(c1)n1cncc1
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.219g/mol
Monoisotopic Mass:
173.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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