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1159826-44-4 | 1-Piperidinecarboxylic acid, 2-(aminomethyl)-, phenylmethyl ester, hydrochloride (1:1)
CAS No: 1159826-44-4 Catalog No: AG000HCR MDL No:MFCD11101347
Product Description
Catalog Number:
AG000HCR
Chemical Name:
1-Piperidinecarboxylic acid, 2-(aminomethyl)-, phenylmethyl ester, hydrochloride (1:1)
CAS Number:
1159826-44-4
Molecular Formula:
C14H21ClN2O2
Molecular Weight:
284.7817
MDL Number:
MFCD11101347
IUPAC Name:
benzyl 2-(aminomethyl)piperidine-1-carboxylate;hydrochloride
InChI:
InChI=1S/C14H20N2O2.ClH/c15-10-13-8-4-5-9-16(13)14(17)18-11-12-6-2-1-3-7-12;/h1-3,6-7,13H,4-5,8-11,15H2;1H
InChI Key:
RBHMFJDSNDLBIR-UHFFFAOYSA-N
SMILES:
NCC1CCCCN1C(=O)OCc1ccccc1.Cl
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
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