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1289387-56-9 | 3-Piperidinemethanamine, 1-[(2-methylphenyl)methyl]-, hydrochloride (1:1)
CAS No: 1289387-56-9 Catalog No: AG000YNL MDL No:MFCD18837567
Product Description
Catalog Number:
AG000YNL
Chemical Name:
3-Piperidinemethanamine, 1-[(2-methylphenyl)methyl]-, hydrochloride (1:1)
CAS Number:
1289387-56-9
Molecular Formula:
C14H23ClN2
Molecular Weight:
254.7988
MDL Number:
MFCD18837567
IUPAC Name:
[1-[(2-methylphenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
InChI:
InChI=1S/C14H22N2.ClH/c1-12-5-2-3-7-14(12)11-16-8-4-6-13(9-15)10-16;/h2-3,5,7,13H,4,6,8-11,15H2,1H3;1H
InChI Key:
LDAHRGWDJPKWAR-UHFFFAOYSA-N
SMILES:
NCC1CCCN(C1)Cc1ccccc1C.Cl
Properties
Complexity:
205
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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