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1087797-79-2 | N-(3-methylbutan-2-yl)-1H-imidazole-1-carboxamide
CAS No: 1087797-79-2 Catalog No: AG019QQM MDL No:MFCD11099716
Product Description
Catalog Number:
AG019QQM
Chemical Name:
N-(3-methylbutan-2-yl)-1H-imidazole-1-carboxamide
CAS Number:
1087797-79-2
Molecular Formula:
C9H15N3O
Molecular Weight:
181.2349
MDL Number:
MFCD11099716
IUPAC Name:
N-(3-methylbutan-2-yl)imidazole-1-carboxamide
InChI:
InChI=1S/C9H15N3O/c1-7(2)8(3)11-9(13)12-5-4-10-6-12/h4-8H,1-3H3,(H,11,13)
InChI Key:
SBJZLABHPUBBKJ-UHFFFAOYSA-N
SMILES:
CC(C(NC(=O)n1cncc1)C)C
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.122g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.239g/mol
Monoisotopic Mass:
181.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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