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1253789-04-6 | 2-Piperidinecarboxylic acid, 1-(2-aminophenyl)-, ethyl ester
CAS No: 1253789-04-6 Catalog No: AG000NJZ MDL No:
Product Description
Catalog Number:
AG000NJZ
Chemical Name:
2-Piperidinecarboxylic acid, 1-(2-aminophenyl)-, ethyl ester
CAS Number:
1253789-04-6
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
IUPAC Name:
ethyl 1-(2-aminophenyl)piperidine-2-carboxylate
InChI:
InChI=1S/C14H20N2O2/c1-2-18-14(17)13-9-5-6-10-16(13)12-8-4-3-7-11(12)15/h3-4,7-8,13H,2,5-6,9-10,15H2,1H3
InChI Key:
CMHGXMMGCCZKNH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCCCN1c1ccccc1N
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.326g/mol
Monoisotopic Mass:
248.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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