| CAS Number | 1159976-32-5 |
| Catalog Number | AG000HEX(AGN-PC-0WQXEP) |
| Chemical Name | 3-[(4-amino-phenylamino)-pyrrolidine-1-carboxylic acid tert-butyl ester |
| 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 |
| MDL Number | MFCD12026436 |
| Molecular Formula | C15H23N3O2 |
| Molecular Weight | 277.3620 |
| SMILES | Nc1ccc(cc1)NC1CCN(C1)C(=O)OC(C)(C)C |
| Synonyms | 1159976-32-5,
3-[(4-amino-phenylamino)-pyrrolidine-1-carboxylic acid tert-butyl ester,
tert-butyl 3-(4-aminophenylamino)pyrrolidine-1-carboxylate,
SCHEMBL595014,
CTK8E9494,
DTXSID10670753,
MFCD12026436,
DA-47709,
OR307782,
RT-016764,
FT-0705587,
T6178,
tert-Butyl 3-(4-aminoanilino)pyrrolidine-1-carboxylate,
1-Pyrrolidinecarboxylic acid, 3-[(4-aminophenyl)amino]-, 1,1-dimethylethyl ester,
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| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number