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120014-19-9 | Piperidine, 4-(2-chloroethyl)-1-(phenylmethyl)-, hydrochloride (1:1)
CAS No: 120014-19-9 Catalog No: AG000Q3L MDL No:
Product Description
Catalog Number:
AG000Q3L
Chemical Name:
Piperidine, 4-(2-chloroethyl)-1-(phenylmethyl)-, hydrochloride (1:1)
CAS Number:
120014-19-9
Molecular Formula:
C14H21Cl2N
Molecular Weight:
274.2292
IUPAC Name:
1-benzyl-4-(2-chloroethyl)piperidine;hydrochloride
InChI:
InChI=1S/C14H20ClN.ClH/c15-9-6-13-7-10-16(11-8-13)12-14-4-2-1-3-5-14;/h1-5,13H,6-12H2;1H
InChI Key:
BSEFADWSMYZXCI-UHFFFAOYSA-N
SMILES:
ClCCC1CCN(CC1)Cc1ccccc1.Cl
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.229g/mol
Monoisotopic Mass:
273.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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