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1087797-74-7 | N-(butan-2-yl)-1H-imidazole-1-carboxamide
CAS No: 1087797-74-7 Catalog No: AG019QQ7 MDL No:MFCD11099698
Product Description
Catalog Number:
AG019QQ7
Chemical Name:
N-(butan-2-yl)-1H-imidazole-1-carboxamide
CAS Number:
1087797-74-7
Molecular Formula:
C8H13N3O
Molecular Weight:
167.2083
MDL Number:
MFCD11099698
IUPAC Name:
N-butan-2-ylimidazole-1-carboxamide
InChI:
InChI=1S/C8H13N3O/c1-3-7(2)10-8(12)11-5-4-9-6-11/h4-7H,3H2,1-2H3,(H,10,12)
InChI Key:
GOFWVPSSZBHFKW-UHFFFAOYSA-N
SMILES:
CCC(NC(=O)n1cncc1)C
Properties
Complexity:
160
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:
2
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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