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1217781-62-8

1217781-62-8 | 1-Piperidinecarboxylic acid, 3-amino-, phenylmethyl ester, hydrochloride (1:1), (3R)-

CAS No: 1217781-62-8 Catalog No: AG0015Y5 MDL No:MFCD09878760

Product Description

Catalog Number:
AG0015Y5
Chemical Name:
1-Piperidinecarboxylic acid, 3-amino-, phenylmethyl ester, hydrochloride (1:1), (3R)-
CAS Number:
1217781-62-8
Molecular Formula:
C13H19ClN2O2
Molecular Weight:
270.7552
MDL Number:
MFCD09878760
IUPAC Name:
benzyl (3R)-3-aminopiperidine-1-carboxylate;hydrochloride
InChI:
InChI=1S/C13H18N2O2.ClH/c14-12-7-4-8-15(9-12)13(16)17-10-11-5-2-1-3-6-11;/h1-3,5-6,12H,4,7-10,14H2;1H/t12-;/m1./s1
InChI Key:
ODSBVOIXQVBLEU-UTONKHPSSA-N
SMILES:
N[C@@H]1CCCN(C1)C(=O)OCc1ccccc1.Cl

Properties

Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
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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