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537696-12-1 | 1H-Benzimidazole-1-propanimidamide, N-hydroxy-2-methyl-
CAS No: 537696-12-1 Catalog No: AG01AREW MDL No:MFCD08436506
Product Description
Catalog Number:
AG01AREW
Chemical Name:
1H-Benzimidazole-1-propanimidamide, N-hydroxy-2-methyl-
CAS Number:
537696-12-1
Molecular Formula:
C11H14N4O
Molecular Weight:
218.2551
MDL Number:
MFCD08436506
IUPAC Name:
N'-hydroxy-3-(2-methylbenzimidazol-1-yl)propanimidamide
InChI:
InChI=1S/C11H14N4O/c1-8-13-9-4-2-3-5-10(9)15(8)7-6-11(12)14-16/h2-5,16H,6-7H2,1H3,(H2,12,14)
InChI Key:
QPUPFXMXRMRPFT-UHFFFAOYSA-N
SMILES:
ON=C(CCn1c(C)nc2c1cccc2)N
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
218.117g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.26g/mol
Monoisotopic Mass:
218.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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