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145645-62-1 | 3-Pyridinecarboxylic acid, 1-[2-[[(diphenylmethylene)amino]oxy]ethyl]-1,2,5,6-tetrahydro-, hydrochloride (1:1)
CAS No: 145645-62-1 Catalog No: AG001D8Q MDL No:MFCD00153853
Product Description
Catalog Number:
AG001D8Q
Chemical Name:
3-Pyridinecarboxylic acid, 1-[2-[[(diphenylmethylene)amino]oxy]ethyl]-1,2,5,6-tetrahydro-, hydrochloride (1:1)
CAS Number:
145645-62-1
Molecular Formula:
C21H23ClN2O3
Molecular Weight:
386.8719
MDL Number:
MFCD00153853
IUPAC Name:
1-[2-(benzhydrylideneamino)oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride
InChI:
InChI=1S/C21H22N2O3.ClH/c24-21(25)19-12-7-13-23(16-19)14-15-26-22-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18;/h1-6,8-12H,7,13-16H2,(H,24,25);1H
InChI Key:
YZYRTEYMUTWJPL-UHFFFAOYSA-N
SMILES:
OC(=O)C1=CCCN(C1)CCON=C(c1ccccc1)c1ccccc1.Cl
UNII:
500M0G931K
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.14g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
386.876g/mol
Monoisotopic Mass:
386.14g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
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