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850429-56-0 | 1-Benzyl-N,N-dimethyl-1H-imidazole-5-carboxamide
CAS No: 850429-56-0 Catalog No: AG003E0D MDL No:MFCD06659897
Product Description
Catalog Number:
AG003E0D
Chemical Name:
1-Benzyl-N,N-dimethyl-1H-imidazole-5-carboxamide
CAS Number:
850429-56-0
Molecular Formula:
C13H15N3O
Molecular Weight:
229.2777
MDL Number:
MFCD06659897
IUPAC Name:
3-benzyl-N,N-dimethylimidazole-4-carboxamide
InChI:
InChI=1S/C13H15N3O/c1-15(2)13(17)12-8-14-10-16(12)9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3
InChI Key:
GXZORRZVOFHVJZ-UHFFFAOYSA-N
SMILES:
CN(C(=O)c1cncn1Cc1ccccc1)C
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.283g/mol
Monoisotopic Mass:
229.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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