Home Carboxys 1-Piperidinecarboxylic acid, 3-amino-4-oxo-, phenylmethyl ester, hydrochloride (1:1)

1-Piperidinecarboxylic acid, 3-amino-4-oxo-, phenylmethyl ester, hydrochloride (1:1)

CAS No.:
1196145-01-3
Catalog Number:
AG000P9R
Molecular Formula:
C13H17ClN2O3
Molecular Weight:
284.7387
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Product Description
Catalog Number:
AG000P9R
Chemical Name:
1-Piperidinecarboxylic acid, 3-amino-4-oxo-, phenylmethyl ester, hydrochloride (1:1)
CAS Number:
1196145-01-3
Molecular Formula:
C13H17ClN2O3
Molecular Weight:
284.7387
MDL Number:
MFCD12756125
IUPAC Name:
benzyl 3-amino-4-oxopiperidine-1-carboxylate;hydrochloride
InChI:
InChI=1S/C13H16N2O3.ClH/c14-11-8-15(7-6-12(11)16)13(17)18-9-10-4-2-1-3-5-10;/h1-5,11H,6-9,14H2;1H
InChI Key:
VXLMZPISJAADPN-UHFFFAOYSA-N
SMILES:
O=C1CCN(CC1N)C(=O)OCc1ccccc1.Cl
Properties
Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.093g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
284.74g/mol
Monoisotopic Mass:
284.093g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties