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109753-28-8 | 2-(2-imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-yl)ethanol hydrochloride
CAS No: 109753-28-8 Catalog No: AG00J3QD MDL No:MFCD01455425
Product Description
Catalog Number:
AG00J3QD
Chemical Name:
2-(2-imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-yl)ethanol hydrochloride
CAS Number:
109753-28-8
Molecular Formula:
C10H14ClN3O
Molecular Weight:
227.6907
MDL Number:
MFCD01455425
IUPAC Name:
2-(2-imino-3-methylbenzimidazol-1-yl)ethanol;hydrochloride
InChI:
InChI=1S/C10H13N3O.ClH/c1-12-8-4-2-3-5-9(8)13(6-7-14)10(12)11;/h2-5,11,14H,6-7H2,1H3;1H
InChI Key:
AJSXDJAHCRCTTL-UHFFFAOYSA-N
SMILES:
OCCn1c(=N)n(c2c1cccc2)C.Cl
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.083g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
227.692g/mol
Monoisotopic Mass:
227.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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