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89608-63-9 | 1H-Imidazole-4-carboxamide, 5-amino-N-(phenylmethyl)-
CAS No: 89608-63-9 Catalog No: AG003WTZ MDL No:
Product Description
Catalog Number:
AG003WTZ
Chemical Name:
1H-Imidazole-4-carboxamide, 5-amino-N-(phenylmethyl)-
CAS Number:
89608-63-9
Molecular Formula:
C11H12N4O
Molecular Weight:
216.2392
IUPAC Name:
4-amino-N-benzyl-1H-imidazole-5-carboxamide
InChI:
InChI=1S/C11H12N4O/c12-10-9(14-7-15-10)11(16)13-6-8-4-2-1-3-5-8/h1-5,7H,6,12H2,(H,13,16)(H,14,15)
InChI Key:
JYVOIWUOCRNZNZ-UHFFFAOYSA-N
SMILES:
O=C(c1nc[nH]c1N)NCc1ccccc1
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
216.244g/mol
Monoisotopic Mass:
216.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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