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1373028-17-1 | Piperidine, 4-[(3-chlorophenyl)methyl]-, hydrochloride (1:1)
CAS No: 1373028-17-1 Catalog No: AG001329 MDL No:
Product Description
Catalog Number:
AG001329
Chemical Name:
Piperidine, 4-[(3-chlorophenyl)methyl]-, hydrochloride (1:1)
CAS Number:
1373028-17-1
Molecular Formula:
C12H17Cl2N
Molecular Weight:
246.1761
IUPAC Name:
4-[(3-chlorophenyl)methyl]piperidine;hydrochloride
InChI:
InChI=1S/C12H16ClN.ClH/c13-12-3-1-2-11(9-12)8-10-4-6-14-7-5-10;/h1-3,9-10,14H,4-8H2;1H
InChI Key:
KWLLXYLZQJJISJ-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)CC1CCNCC1.Cl
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.175g/mol
Monoisotopic Mass:
245.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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