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1155659-33-8 | 1H-Benzimidazole-2-methanamine, hydrochloride, hydrate (1:2:1)
CAS No: 1155659-33-8 Catalog No: AG000G69 MDL No:MFCD00150073
Product Description
Catalog Number:
AG000G69
Chemical Name:
1H-Benzimidazole-2-methanamine, hydrochloride, hydrate (1:2:1)
CAS Number:
1155659-33-8
Molecular Formula:
C8H13Cl2N3O
Molecular Weight:
238.1143
MDL Number:
MFCD00150073
IUPAC Name:
1H-benzimidazol-2-ylmethanamine;hydrate;dihydrochloride
InChI:
InChI=1S/C8H9N3.2ClH.H2O/c9-5-8-10-6-3-1-2-4-7(6)11-8;;;/h1-4H,5,9H2,(H,10,11);2*1H;1H2
InChI Key:
QHEZHWNFSVYUGT-UHFFFAOYSA-N
SMILES:
NCc1nc2c([nH]1)cccc2.O.Cl.Cl
EC Number:
227-820-3
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.044g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
238.112g/mol
Monoisotopic Mass:
237.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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