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1233953-07-5 | N-(2-Methoxybenzyl)piperidine-4-amine dihydrochloride
CAS No: 1233953-07-5 Catalog No: AG01F874 MDL No:
Product Description
Catalog Number:
AG01F874
Chemical Name:
N-(2-Methoxybenzyl)piperidine-4-amine dihydrochloride
CAS Number:
1233953-07-5
Molecular Formula:
C13H22Cl2N2O
Molecular Weight:
293.2326
IUPAC Name:
N-[(2-methoxyphenyl)methyl]piperidin-4-amine;dihydrochloride
InChI:
InChI=1S/C13H20N2O.2ClH/c1-16-13-5-3-2-4-11(13)10-15-12-6-8-14-9-7-12;;/h2-5,12,14-15H,6-10H2,1H3;2*1H
InChI Key:
CYCJYIZKUDBDNR-UHFFFAOYSA-N
SMILES:
COc1ccccc1CNC1CCNCC1.Cl.Cl
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
293.232g/mol
Monoisotopic Mass:
292.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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