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1185296-31-4 | 3-(3-Chloro-benzyloxymethyl)-piperidine hydrochloride
CAS No: 1185296-31-4 Catalog No: AG01F868 MDL No:
Product Description
Catalog Number:
AG01F868
Chemical Name:
3-(3-Chloro-benzyloxymethyl)-piperidine hydrochloride
CAS Number:
1185296-31-4
Molecular Formula:
C13H19Cl2NO
Molecular Weight:
276.2021
IUPAC Name:
3-[(3-chlorophenyl)methoxymethyl]piperidine;hydrochloride
InChI:
InChI=1S/C13H18ClNO.ClH/c14-13-5-1-3-11(7-13)9-16-10-12-4-2-6-15-8-12;/h1,3,5,7,12,15H,2,4,6,8-10H2;1H
InChI Key:
WOEMCTJGTYSYRN-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)COCC1CCCNC1.Cl
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.201g/mol
Monoisotopic Mass:
275.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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