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1171692-94-6 | Piperidine, 3-[(4-chlorophenyl)methyl]-, hydrochloride (1:1)
CAS No: 1171692-94-6 Catalog No: AG000DTU MDL No:MFCD04113622
Product Description
Catalog Number:
AG000DTU
Chemical Name:
Piperidine, 3-[(4-chlorophenyl)methyl]-, hydrochloride (1:1)
CAS Number:
1171692-94-6
Molecular Formula:
C12H17Cl2N
Molecular Weight:
246.1761
MDL Number:
MFCD04113622
IUPAC Name:
3-[(4-chlorophenyl)methyl]piperidine;hydrochloride
InChI:
InChI=1S/C12H16ClN.ClH/c13-12-5-3-10(4-6-12)8-11-2-1-7-14-9-11;/h3-6,11,14H,1-2,7-9H2;1H
InChI Key:
HIUXLJMLSDJUNC-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)CC1CCCNC1.Cl
Properties
Complexity:
164
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:
1
Undefined Bond Stereocenter Count:
0
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