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1171138-69-4 | Piperidine, 4-[(3,4-dichlorophenyl)methyl]-, hydrochloride (1:1)
CAS No: 1171138-69-4 Catalog No: AG000DR5 MDL No:MFCD03840139
Product Description
Catalog Number:
AG000DR5
Chemical Name:
Piperidine, 4-[(3,4-dichlorophenyl)methyl]-, hydrochloride (1:1)
CAS Number:
1171138-69-4
Molecular Formula:
C12H16Cl3N
Molecular Weight:
280.6211
MDL Number:
MFCD03840139
IUPAC Name:
4-[(3,4-dichlorophenyl)methyl]piperidine;hydrochloride
InChI:
InChI=1S/C12H15Cl2N.ClH/c13-11-2-1-10(8-12(11)14)7-9-3-5-15-6-4-9;/h1-2,8-9,15H,3-7H2;1H
InChI Key:
QMXPLRLXVBJVNB-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1Cl)CC1CCNCC1.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:
279.035g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.617g/mol
Monoisotopic Mass:
279.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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