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Home > Imidazoles > 88940-82-3
88940-82-3 | 1H-Imidazole-1-hexanamide
CAS No: 88940-82-3 Catalog No: AG0047ZI MDL No:
Product Description
Catalog Number:
AG0047ZI
Chemical Name:
1H-Imidazole-1-hexanamide
CAS Number:
88940-82-3
Molecular Formula:
C9H15N3O
Molecular Weight:
181.2349
IUPAC Name:
6-imidazol-1-ylhexanamide
InChI:
InChI=1S/C9H15N3O/c10-9(13)4-2-1-3-6-12-7-5-11-8-12/h5,7-8H,1-4,6H2,(H2,10,13)
InChI Key:
KDMOQWXGVMMUGE-UHFFFAOYSA-N
SMILES:
NC(=O)CCCCCn1ccnc1
Properties
Complexity:
161
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:
6
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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