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1170931-79-9 | Piperidine, 4-[(3-methylphenyl)methyl]-, hydrochloride (1:1)
CAS No: 1170931-79-9 Catalog No: AG000DOY MDL No:
Product Description
Catalog Number:
AG000DOY
Chemical Name:
Piperidine, 4-[(3-methylphenyl)methyl]-, hydrochloride (1:1)
CAS Number:
1170931-79-9
Molecular Formula:
C13H20ClN
Molecular Weight:
225.7576
IUPAC Name:
4-[(3-methylphenyl)methyl]piperidine;hydrochloride
InChI:
InChI=1S/C13H19N.ClH/c1-11-3-2-4-13(9-11)10-12-5-7-14-8-6-12;/h2-4,9,12,14H,5-8,10H2,1H3;1H
InChI Key:
ZSABZNBQLCNDHH-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)CC1CCNCC1.Cl
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.128g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.76g/mol
Monoisotopic Mass:
225.128g/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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