| CAS Number | 1015070-53-7 |
| Catalog Number | AG00944M(AGN-PC-0WBODW) |
| Chemical Name | tert-Butyl trans-3-amino-4-phenylpyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl (3S,4R)-3-amino-4-phenylpyrrolidine-1-carboxylate |
| InChI | InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-9-12(13(16)10-17)11-7-5-4-6-8-11/h4-8,12-13H,9-10,16H2,1-3H3/t12-,13+/m0/s1 |
| InChI Key | UEGLRNLEEDBVTH-QWHCGFSZSA-N |
| MDL Number | MFCD03002045 |
| Molecular Formula | C15H22N2O2 |
| Molecular Weight | 262.3474 |
| SMILES | CC(C)(C)OC(=O)N1C[C@@H](C2=CC=CC=C2)[C@@H](C1)N |
| Synonyms | TRANS (+/-) 3-AMINO-4-PHENYLPYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER,
tert-butyl (3S,4R)-3-amino-4-phenylpyrrolidine-1-carboxylate,
1015070-53-7,
1643979-48-9,
1-Boc-3-amino-4-phenylpyrrolidine,
CS-WAA0223,
SCHEMBL15730035,
DTXSID80589964,
TRANS (+/-) 3-AMINO-4-PHENYLPYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER,
UEGLRNLEEDBVTH-QWHCGFSZSA-N,
AR1388,
MFCD03002045,
ZINC14806798,
AKOS015954968,
34PP-0-0,
AS-45107,
A-8047,
trans-tert-butyl 3-amino-4-phenylpyrrolidine-1-carboxylate,
N-BOC-3-AMINO-4-PHENYLPYRROLIDINE,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.353g/mol |
| Monoisotopic Mass | 262.168g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number