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144726-00-1 | 2-Pyridinecarboxylic acid, 3-amino-, octyl ester
CAS No: 144726-00-1 Catalog No: AG001K2X MDL No:
Product Description
Catalog Number:
AG001K2X
Chemical Name:
2-Pyridinecarboxylic acid, 3-amino-, octyl ester
CAS Number:
144726-00-1
Molecular Formula:
C14H22N2O2
Molecular Weight:
250.3367
IUPAC Name:
octyl 3-aminopyridine-2-carboxylate
InChI:
InChI=1S/C14H22N2O2/c1-2-3-4-5-6-7-11-18-14(17)13-12(15)9-8-10-16-13/h8-10H,2-7,11,15H2,1H3
InChI Key:
IRWULZLNZMUMHN-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC(=O)c1ncccc1N
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.168g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.342g/mol
Monoisotopic Mass:
250.168g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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