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19831-41-5 | Piperidine, 1-[2-(octyloxy)-2-phenylethyl]-, hydrochloride (1:1)
CAS No: 19831-41-5 Catalog No: AG002BFV MDL No:
Product Description
Catalog Number:
AG002BFV
Chemical Name:
Piperidine, 1-[2-(octyloxy)-2-phenylethyl]-, hydrochloride (1:1)
CAS Number:
19831-41-5
Molecular Formula:
C21H36ClNO
Molecular Weight:
353.9696
IUPAC Name:
1-(2-octoxy-2-phenylethyl)piperidine;hydrochloride
InChI:
InChI=1S/C21H35NO.ClH/c1-2-3-4-5-6-13-18-23-21(20-14-9-7-10-15-20)19-22-16-11-8-12-17-22;/h7,9-10,14-15,21H,2-6,8,11-13,16-19H2,1H3;1H
InChI Key:
ZHQTZCHKZKSPHI-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC(c1ccccc1)CN1CCCCC1.Cl
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.249g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
353.975g/mol
Monoisotopic Mass:
353.249g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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