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889947-76-6 | 3-Piperidinecarboxylicacid, 1-(2-aminophenyl)-, ethyl ester
CAS No: 889947-76-6 Catalog No: AG00451C MDL No:
Product Description
Catalog Number:
AG00451C
Chemical Name:
3-Piperidinecarboxylicacid, 1-(2-aminophenyl)-, ethyl ester
CAS Number:
889947-76-6
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
IUPAC Name:
ethyl 1-(2-aminophenyl)piperidine-3-carboxylate
InChI:
InChI=1S/C14H20N2O2/c1-2-18-14(17)11-6-5-9-16(10-11)13-8-4-3-7-12(13)15/h3-4,7-8,11H,2,5-6,9-10,15H2,1H3
InChI Key:
GUALPRBXIVWFGX-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCCN(C1)c1ccccc1N
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:
2.1
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