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1220037-01-3 | 3-(4-Chloro-benzyloxymethyl)-piperidine hydrochloride
CAS No: 1220037-01-3 Catalog No: AG01F86X MDL No:
Product Description
Catalog Number:
AG01F86X
Chemical Name:
3-(4-Chloro-benzyloxymethyl)-piperidine hydrochloride
CAS Number:
1220037-01-3
Molecular Formula:
C13H19Cl2NO
Molecular Weight:
276.2021
IUPAC Name:
3-[(4-chlorophenyl)methoxymethyl]piperidine;hydrochloride
InChI:
InChI=1S/C13H18ClNO.ClH/c14-13-5-3-11(4-6-13)9-16-10-12-2-1-7-15-8-12;/h3-6,12,15H,1-2,7-10H2;1H
InChI Key:
MEYHFQDDNUOVIP-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)COCC1CCCNC1.Cl
Properties
Complexity:
192
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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