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24642-47-5 | Acetic acid, diphenyl-, 1-methyl-4-piperidino-2-butynyl ester hydrochloride (8CI)
CAS No: 24642-47-5 Catalog No: AG002OW7 MDL No:
Product Description
Catalog Number:
AG002OW7
Chemical Name:
Acetic acid, diphenyl-, 1-methyl-4-piperidino-2-butynyl ester hydrochloride (8CI)
CAS Number:
24642-47-5
Molecular Formula:
C24H28ClNO2
Molecular Weight:
397.9376
IUPAC Name:
5-piperidin-1-ylpent-3-yn-2-yl 2,2-diphenylacetate;hydrochloride
InChI:
InChI=1S/C24H27NO2.ClH/c1-20(12-11-19-25-17-9-4-10-18-25)27-24(26)23(21-13-5-2-6-14-21)22-15-7-3-8-16-22;/h2-3,5-8,13-16,20,23H,4,9-10,17-19H2,1H3;1H
InChI Key:
GKCRBNKVDVCZPD-UHFFFAOYSA-N
SMILES:
CC(OC(=O)C(c1ccccc1)c1ccccc1)C#CCN1CCCCC1.Cl
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.181g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
397.943g/mol
Monoisotopic Mass:
397.181g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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