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149047-77-8 | N-(pentan-3-yl)-1H-imidazole-1-carboxamide
CAS No: 149047-77-8 Catalog No: AG019QQT MDL No:MFCD11099724
Product Description
Catalog Number:
AG019QQT
Chemical Name:
N-(pentan-3-yl)-1H-imidazole-1-carboxamide
CAS Number:
149047-77-8
Molecular Formula:
C9H15N3O
Molecular Weight:
181.2349
MDL Number:
MFCD11099724
IUPAC Name:
N-pentan-3-ylimidazole-1-carboxamide
InChI:
InChI=1S/C9H15N3O/c1-3-8(4-2)11-9(13)12-6-5-10-7-12/h5-8H,3-4H2,1-2H3,(H,11,13)
InChI Key:
ITTMCTUWHMLWKK-UHFFFAOYSA-N
SMILES:
CCC(NC(=O)n1cncc1)CC
Properties
Complexity:
168
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:
3
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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