1-ethyl-2-(phenylmethyl)ester, (1S,3aR,6aS)- (CAS 402958-21-8) — formula C18H21NO5, molecular weight 331.4; category organic chemicals.
| CAS Number | 402958-21-8 |
|---|---|
| Molecular Formula | C18H21NO5 |
| Molecular Weight | 331.4 |
| LogP | 1.8 |
| Category | Organic Chemicals |
1-ethyl-2-(phenylmethyl)ester, (1S,3aR,6aS)- is a carbon-based organic compound with CAS registry number 402958-21-8 and molecular formula C18H21NO5 (molecular weight 331.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 402958-21-8
Its molecular formula C18H21NO5 comprises 18 C, 21 H, 1 N, 5 O atoms.
Also known as: 1-ethyl-2-(phenylmethyl)ester, (1S,3aR,6aS)- · 1-乙基-2-(苯基甲基)酯, (1S,3aR,6aS)-
Category: organic chemicals
The CAS registry number of 1-ethyl-2-(phenylmethyl)ester, (1S,3aR,6aS)- is 402958-21-8.
Molecular formula C18H21NO5, molecular weight 331.4.
It is also registered under: 1-ethyl-2-(phenylmethyl)ester, (1S,3aR,6aS)-, 1-乙基-2-(苯基甲基)酯, (1S,3aR,6aS)-.
Category: Organic Chemicals.
Independent reference data for 1-ethyl-2-(phenylmethyl)ester, (1S,3aR,6aS)- (CAS 402958-21-8), compiled from public chemistry databases.
| CAS 号 | 402958-21-8 |
|---|---|
| PubChem CID | 10336803 |
| 分子式 | C18H21NO5 |
| IUPAC 名称 | 2-O-benzyl 3-O-ethyl (3S,3aS,6aR)-6-oxo-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-2,3-dicarboxylate |
| Molecular Weight | 331.4 |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 331.14197277 |
| Monoisotopic Mass | 331.14197277 |
| Topological Polar Surface Area | 72.9 |
| Heavy Atom Count | 24 |
402958-21-8; 158340-62-6; (1R,3aS,6aR)-rel-2-Benzyl 1-ethyl 4-oxohexahydrocyclopenta[c]pyrrole-1,2(1H)-dicarboxylate; 1-Ethyl-2-(phenylmethyl)ester,(1s,3ar,6as)-; Racemic-(1S,3aR,6aS)-2-benzyl 1-ethyl 4-oxohexahydrocyclopenta[c]pyrrole-1,2(1H)-dicarboxylate; 2-O-benzyl 3-O-ethyl (3S,3aS,6aR)-6-oxo-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-2,3-dicarboxylate; RACEMIC-2-CBZ-3A-,6A-DIHYDROGEN-4-OXO-HEXAHYDRO-CYCLOPENTA[C]PYRROLE-1-CARBOXYLIC ACID ETHYL ESTER; 2-Benzyl 1-ethyl (1S,3aR,6aS)-4-oxohexahydrocyclopenta[c]pyrrole-1,2(1H)-dicarboxylate; starbld0009779; SCHEMBL464027; DTXSID90438373; AKOS022179143; WS-02669; W14285; W19110
1-乙基-2-(苯基甲基)酯, (1S,3aR,6aS)- · CAS 402958-21-8 · C18H21NO5.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.