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1289386-55-5 | 3-Piperidinamine, 1-[(4-methylphenyl)methyl]-, hydrochloride (1:1)
CAS No: 1289386-55-5 Catalog No: AG000YLZ MDL No:
Product Description
Catalog Number:
AG000YLZ
Chemical Name:
3-Piperidinamine, 1-[(4-methylphenyl)methyl]-, hydrochloride (1:1)
CAS Number:
1289386-55-5
Molecular Formula:
C13H21ClN2
Molecular Weight:
240.7722
IUPAC Name:
1-[(4-methylphenyl)methyl]piperidin-3-amine;hydrochloride
InChI:
InChI=1S/C13H20N2.ClH/c1-11-4-6-12(7-5-11)9-15-8-2-3-13(14)10-15;/h4-7,13H,2-3,8-10,14H2,1H3;1H
InChI Key:
JRTHUMGZVAZVSQ-UHFFFAOYSA-N
SMILES:
NC1CCCN(C1)Cc1ccc(cc1)C.Cl
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.139g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.775g/mol
Monoisotopic Mass:
240.139g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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