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93605-62-0 | 1H-Imidazole-1-carboxamide, N-octyl-
CAS No: 93605-62-0 Catalog No: AG0061XL MDL No:
Product Description
Catalog Number:
AG0061XL
Chemical Name:
1H-Imidazole-1-carboxamide, N-octyl-
CAS Number:
93605-62-0
Molecular Formula:
C12H21N3O
Molecular Weight:
223.3146
IUPAC Name:
N-octylimidazole-1-carboxamide
InChI:
InChI=1S/C12H21N3O/c1-2-3-4-5-6-7-8-14-12(16)15-10-9-13-11-15/h9-11H,2-8H2,1H3,(H,14,16)
InChI Key:
SKUWNJBAAZWAQF-UHFFFAOYSA-N
SMILES:
CCCCCCCCNC(=O)n1cncc1
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.168g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.32g/mol
Monoisotopic Mass:
223.168g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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