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1156713-02-8 | 1H-Imidazole-2-methanamine, 5-(4-methylphenyl)-
CAS No: 1156713-02-8 Catalog No: AG000GQA MDL No:MFCD21092009
Product Description
Catalog Number:
AG000GQA
Chemical Name:
1H-Imidazole-2-methanamine, 5-(4-methylphenyl)-
CAS Number:
1156713-02-8
Molecular Formula:
C11H13N3
Molecular Weight:
187.2410
MDL Number:
MFCD21092009
IUPAC Name:
[5-(4-methylphenyl)-1H-imidazol-2-yl]methanamine
InChI:
InChI=1S/C11H13N3/c1-8-2-4-9(5-3-8)10-7-13-11(6-12)14-10/h2-5,7H,6,12H2,1H3,(H,13,14)
InChI Key:
RRTFBILUUADTJV-UHFFFAOYSA-N
SMILES:
NCc1ncc([nH]1)c1ccc(cc1)C
Properties
Complexity:
175
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:
2
Isotope Atom Count:
0
Molecular Weight:
187.246g/mol
Monoisotopic Mass:
187.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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