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119150-05-9 | Pyridinium, 1-[2-(decyloxy)-2-oxoethyl]-3-[(phenylamino)carbonyl]-, chloride (1:1)
CAS No: 119150-05-9 Catalog No: AG000I9G MDL No:
Product Description
Catalog Number:
AG000I9G
Chemical Name:
Pyridinium, 1-[2-(decyloxy)-2-oxoethyl]-3-[(phenylamino)carbonyl]-, chloride (1:1)
CAS Number:
119150-05-9
Molecular Formula:
C24H33ClN2O3
Molecular Weight:
432.9834
IUPAC Name:
decyl 2-[3-(phenylcarbamoyl)pyridin-1-ium-1-yl]acetate;chloride
InChI:
InChI=1S/C24H32N2O3.ClH/c1-2-3-4-5-6-7-8-12-18-29-23(27)20-26-17-13-14-21(19-26)24(28)25-22-15-10-9-11-16-22;/h9-11,13-17,19H,2-8,12,18,20H2,1H3;1H
InChI Key:
GUGGWUSJIBBGTI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOC(=O)C[n+]1cccc(c1)C(=O)Nc1ccccc1.[Cl-]
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.218g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
432.989g/mol
Monoisotopic Mass:
432.218g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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