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1197227-61-4 | Benzenemethanamine, 2-(1H-imidazol-1-yl)-, hydrochloride (1:2)
CAS No: 1197227-61-4 Catalog No: AG000PJJ MDL No:MFCD09759122
Product Description
Catalog Number:
AG000PJJ
Chemical Name:
Benzenemethanamine, 2-(1H-imidazol-1-yl)-, hydrochloride (1:2)
CAS Number:
1197227-61-4
Molecular Formula:
C10H13Cl2N3
Molecular Weight:
246.1363
MDL Number:
MFCD09759122
IUPAC Name:
(2-imidazol-1-ylphenyl)methanamine;dihydrochloride
InChI:
InChI=1S/C10H11N3.2ClH/c11-7-9-3-1-2-4-10(9)13-6-5-12-8-13;;/h1-6,8H,7,11H2;2*1H
InChI Key:
MKPYQSHQEMIADP-UHFFFAOYSA-N
SMILES:
NCc1ccccc1n1cncc1.Cl.Cl
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.049g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
246.135g/mol
Monoisotopic Mass:
245.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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