| CAS Number | 1230135-97-3 |
| Catalog Number | AG01DX05 |
| Chemical Name | tert-Butyl (2-benzyloctahydrocyclopenta[c]pyrrol-4-yl)carbamate |
| IUPAC Name | tert-butyl N-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)carbamate |
| InChI | InChI=1S/C19H28N2O2/c1-19(2,3)23-18(22)20-17-10-9-15-12-21(13-16(15)17)11-14-7-5-4-6-8-14/h4-8,15-17H,9-13H2,1-3H3,(H,20,22) |
| InChI Key | QMQGMWPJTZZKGJ-UHFFFAOYSA-N |
| MDL Number | MFCD14635664 |
| Molecular Formula | C19H28N2O2 |
| Molecular Weight | 316.4378 |
| SMILES | CC(C)(C)OC(=O)NC1CCC2CN(CC3=CC=CC=C3)CC12 |
| Synonyms | TERT-BUTYL 2-BENZYL-OCTAHYDROCYCLOPENTA[C] PYRROL-6-YLCARBAMATE,
874949-34-5,
1230135-97-3,
tert-Butyl (2-benzyloctahydrocyclopenta[c]pyrrol-4-yl)carbamate,
SCHEMBL66458,
MFCD14635664,
AKOS027339532,
AS-44892,
t-Butyl 2-benzyl-octahydrocyclopenta[c] pyrrol-6-ylcarbamate,
|
| Complexity | 412 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.215g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.445g/mol |
| Monoisotopic Mass | 316.215g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number