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1217774-98-5 | 1-Piperidinecarboxylic acid, 3-(aminomethyl)-, phenylmethyl ester, hydrochloride (1:1), (3S)-
CAS No: 1217774-98-5 Catalog No: AG0015YC MDL No:
Product Description
Catalog Number:
AG0015YC
Chemical Name:
1-Piperidinecarboxylic acid, 3-(aminomethyl)-, phenylmethyl ester, hydrochloride (1:1), (3S)-
CAS Number:
1217774-98-5
Molecular Formula:
C14H21ClN2O2
Molecular Weight:
284.7817
IUPAC Name:
benzyl (3S)-3-(aminomethyl)piperidine-1-carboxylate;hydrochloride
InChI:
InChI=1S/C14H20N2O2.ClH/c15-9-13-7-4-8-16(10-13)14(17)18-11-12-5-2-1-3-6-12;/h1-3,5-6,13H,4,7-11,15H2;1H/t13-;/m0./s1
InChI Key:
XIPMZIXJQLUJJK-ZOWNYOTGSA-N
SMILES:
NC[C@@H]1CCCN(C1)C(=O)OCc1ccccc1.Cl
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
284.129g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.784g/mol
Monoisotopic Mass:
284.129g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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