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1289385-65-4 | 4-Piperidinemethanamine, 1-[(2-methylphenyl)methyl]-, hydrochloride (1:1)
CAS No: 1289385-65-4 Catalog No: AG000YLK MDL No:
Product Description
Catalog Number:
AG000YLK
Chemical Name:
4-Piperidinemethanamine, 1-[(2-methylphenyl)methyl]-, hydrochloride (1:1)
CAS Number:
1289385-65-4
Molecular Formula:
C14H23ClN2
Molecular Weight:
254.7988
IUPAC Name:
[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanamine;hydrochloride
InChI:
InChI=1S/C14H22N2.ClH/c1-12-4-2-3-5-14(12)11-16-8-6-13(10-15)7-9-16;/h2-5,13H,6-11,15H2,1H3;1H
InChI Key:
LNMMPKXUKRVTGQ-UHFFFAOYSA-N
SMILES:
NCC1CCN(CC1)Cc1ccccc1C.Cl
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.155g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.802g/mol
Monoisotopic Mass:
254.155g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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