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1303967-55-6 | 3-Piperidinemethanamine, 1-[(4-methylphenyl)methyl]-, hydrochloride (1:1)
CAS No: 1303967-55-6 Catalog No: AG000UD0 MDL No:
Product Description
Catalog Number:
AG000UD0
Chemical Name:
3-Piperidinemethanamine, 1-[(4-methylphenyl)methyl]-, hydrochloride (1:1)
CAS Number:
1303967-55-6
Molecular Formula:
C14H23ClN2
Molecular Weight:
254.7988
IUPAC Name:
[1-[(4-methylphenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
InChI:
InChI=1S/C14H22N2.ClH/c1-12-4-6-13(7-5-12)10-16-8-2-3-14(9-15)11-16;/h4-7,14H,2-3,8-11,15H2,1H3;1H
InChI Key:
KARNHXNEAPCYFP-UHFFFAOYSA-N
SMILES:
NCC1CCCN(C1)Cc1ccc(cc1)C.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:
1
Undefined Bond Stereocenter Count:
0
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