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1158533-04-0 | 4-Piperidinamine, 1-[(4-methoxyphenyl)methyl]-, hydrochloride (1:1)
CAS No: 1158533-04-0 Catalog No: AG000GYG MDL No:MFCD09455671
Product Description
Catalog Number:
AG000GYG
Chemical Name:
4-Piperidinamine, 1-[(4-methoxyphenyl)methyl]-, hydrochloride (1:1)
CAS Number:
1158533-04-0
Molecular Formula:
C13H21ClN2O
Molecular Weight:
256.7716
MDL Number:
MFCD09455671
IUPAC Name:
1-[(4-methoxyphenyl)methyl]piperidin-4-amine;hydrochloride
InChI:
InChI=1S/C13H20N2O.ClH/c1-16-13-4-2-11(3-5-13)10-15-8-6-12(14)7-9-15;/h2-5,12H,6-10,14H2,1H3;1H
InChI Key:
YNKINEKKLLCPCA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CN1CCC(CC1)N.Cl
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.134g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.774g/mol
Monoisotopic Mass:
256.134g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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