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1159976-32-5 | 1-Pyrrolidinecarboxylic acid, 3-[(4-aminophenyl)amino]-, 1,1-dimethylethyl ester
CAS No: 1159976-32-5 Catalog No: AG000HEX MDL No:
Product Description
Catalog Number:
AG000HEX
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-[(4-aminophenyl)amino]-, 1,1-dimethylethyl ester
CAS Number:
1159976-32-5
Molecular Formula:
C15H23N3O2
Molecular Weight:
277.3620
IUPAC Name:
tert-butyl 3-(4-aminoanilino)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)18-9-8-13(10-18)17-12-6-4-11(16)5-7-12/h4-7,13,17H,8-10,16H2,1-3H3
InChI Key:
SCQCXXWVNOKLOT-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)NC1CCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.179g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.368g/mol
Monoisotopic Mass:
277.179g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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