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1159826-41-1 | 1-Piperidinecarboxylic acid, 4-amino-, phenylmethyl ester, hydrochloride (1:1)
CAS No: 1159826-41-1 Catalog No: AG000HCS MDL No:MFCD09749838
Product Description
Catalog Number:
AG000HCS
Chemical Name:
1-Piperidinecarboxylic acid, 4-amino-, phenylmethyl ester, hydrochloride (1:1)
CAS Number:
1159826-41-1
Molecular Formula:
C13H19ClN2O2
Molecular Weight:
270.7552
MDL Number:
MFCD09749838
IUPAC Name:
benzyl 4-aminopiperidine-1-carboxylate;hydrochloride
InChI:
InChI=1S/C13H18N2O2.ClH/c14-12-6-8-15(9-7-12)13(16)17-10-11-4-2-1-3-5-11;/h1-5,12H,6-10,14H2;1H
InChI Key:
JAWUZYQLHIGNMM-UHFFFAOYSA-N
SMILES:
NC1CCN(CC1)C(=O)OCc1ccccc1.Cl
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.114g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.757g/mol
Monoisotopic Mass:
270.114g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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