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136704-10-4 | Piperidine, 4-(chloromethyl)-1-(phenylmethyl)-
CAS No: 136704-10-4 Catalog No: AG00128E MDL No:MFCD15143192
Product Description
Catalog Number:
AG00128E
Chemical Name:
Piperidine, 4-(chloromethyl)-1-(phenylmethyl)-
CAS Number:
136704-10-4
Molecular Formula:
C13H18ClN
Molecular Weight:
223.7417
MDL Number:
MFCD15143192
IUPAC Name:
1-benzyl-4-(chloromethyl)piperidine
InChI:
InChI=1S/C13H18ClN/c14-10-12-6-8-15(9-7-12)11-13-4-2-1-3-5-13/h1-5,12H,6-11H2
InChI Key:
JQRPAXCUPFDKRT-UHFFFAOYSA-N
SMILES:
ClCC1CCN(CC1)Cc1ccccc1
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.113g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.744g/mol
Monoisotopic Mass:
223.113g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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