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63678-26-2 | N-butyl-1H-imidazole-1-carboxamide
CAS No: 63678-26-2 Catalog No: AG019QPV MDL No:MFCD11099683
Product Description
Catalog Number:
AG019QPV
Chemical Name:
N-butyl-1H-imidazole-1-carboxamide
CAS Number:
63678-26-2
Molecular Formula:
C8H13N3O
Molecular Weight:
167.2083
MDL Number:
MFCD11099683
IUPAC Name:
N-butylimidazole-1-carboxamide
InChI:
InChI=1S/C8H13N3O/c1-2-3-4-10-8(12)11-6-5-9-7-11/h5-7H,2-4H2,1H3,(H,10,12)
InChI Key:
OVVHGEJWGKGBLV-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)n1cncc1
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.106g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.212g/mol
Monoisotopic Mass:
167.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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