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23476-74-6 | 3-Pyridinecarboxylic acid, 2-(phenylamino)-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
CAS No: 23476-74-6 Catalog No: AG002NCT MDL No:
Product Description
Catalog Number:
AG002NCT
Chemical Name:
3-Pyridinecarboxylic acid, 2-(phenylamino)-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
CAS Number:
23476-74-6
Molecular Formula:
C18H24ClN3O2
Molecular Weight:
349.8551
IUPAC Name:
2-(diethylamino)ethyl 2-anilinopyridine-3-carboxylate;hydrochloride
InChI:
InChI=1S/C18H23N3O2.ClH/c1-3-21(4-2)13-14-23-18(22)16-11-8-12-19-17(16)20-15-9-6-5-7-10-15;/h5-12H,3-4,13-14H2,1-2H3,(H,19,20);1H
InChI Key:
GFJHJQJWKCEEGA-UHFFFAOYSA-N
SMILES:
CCN(CCOC(=O)c1cccnc1Nc1ccccc1)CC.Cl
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.156g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
349.859g/mol
Monoisotopic Mass:
349.156g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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