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1289386-08-8 | 3-Piperidinemethanamine, N,N-bis[(2-methylphenyl)methyl]-, hydrochloride (1:1)
CAS No: 1289386-08-8 Catalog No: AG000YL3 MDL No:
Product Description
Catalog Number:
AG000YL3
Chemical Name:
3-Piperidinemethanamine, N,N-bis[(2-methylphenyl)methyl]-, hydrochloride (1:1)
CAS Number:
1289386-08-8
Molecular Formula:
C22H31ClN2
Molecular Weight:
358.9479
IUPAC Name:
N,N-bis[(2-methylphenyl)methyl]-1-piperidin-3-ylmethanamine;hydrochloride
InChI:
InChI=1S/C22H30N2.ClH/c1-18-8-3-5-11-21(18)16-24(15-20-10-7-13-23-14-20)17-22-12-6-4-9-19(22)2;/h3-6,8-9,11-12,20,23H,7,10,13-17H2,1-2H3;1H
InChI Key:
OWWKNYXSFMOSPT-UHFFFAOYSA-N
SMILES:
Cc1ccccc1CN(Cc1ccccc1C)CC1CCCNC1.Cl
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.218g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
358.954g/mol
Monoisotopic Mass:
358.218g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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