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130573-54-5 | 1H-Imidazole-4-carboxamide, 1-[1-(1-hydroxyethyl)heptyl]-, [S-(R*,S*)]- (9CI)
CAS No: 130573-54-5 Catalog No: AG000UNV MDL No:
Product Description
Catalog Number:
AG000UNV
Chemical Name:
1H-Imidazole-4-carboxamide, 1-[1-(1-hydroxyethyl)heptyl]-, [S-(R*,S*)]- (9CI)
CAS Number:
130573-54-5
Molecular Formula:
C13H23N3O2
Molecular Weight:
253.3406
IUPAC Name:
1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide
InChI:
InChI=1S/C13H23N3O2/c1-3-4-5-6-7-12(10(2)17)16-8-11(13(14)18)15-9-16/h8-10,12,17H,3-7H2,1-2H3,(H2,14,18)
InChI Key:
JWHINRCANJWPCL-UHFFFAOYSA-N
SMILES:
CCCCCCC(n1cnc(c1)C(=O)N)C(O)C
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.179g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.346g/mol
Monoisotopic Mass:
253.179g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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