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199105-03-8 | 1-Piperidinecarboxylic acid, 4-(2-aminophenyl)-, 1,1-dimethylethyl ester
CAS No: 199105-03-8 Catalog No: AG002BWS MDL No:MFCD05861404
Product Description
Catalog Number:
AG002BWS
Chemical Name:
1-Piperidinecarboxylic acid, 4-(2-aminophenyl)-, 1,1-dimethylethyl ester
CAS Number:
199105-03-8
Molecular Formula:
C16H24N2O2
Molecular Weight:
276.3740
MDL Number:
MFCD05861404
IUPAC Name:
tert-butyl 4-(2-aminophenyl)piperidine-1-carboxylate
InChI:
InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-8-12(9-11-18)13-6-4-5-7-14(13)17/h4-7,12H,8-11,17H2,1-3H3
InChI Key:
BSLRAYZVIBFRQQ-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)c1ccccc1N)OC(C)(C)C
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.184g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.38g/mol
Monoisotopic Mass:
276.184g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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