Products Categories
| CAS No.: | 402958-25-2 |
|---|---|
| Name: | (1S,3AR,6AS)-OCTAHYDRO-CYCLOPENTA[C]PYRROLE-1-CARBOXYLIC ACID ETHYL ESTER |
| Article Data: | 4 |
| Molecular Structure: | |
|
|
|
| Formula: | C10H17NO2 |
| Molecular Weight: | 183.25 |
| Synonyms: | Cyclopenta[c]pyrrole-1-carboxylic acid, octahydro-, ethyl ester, (1S,3aR,6aS)-; |
| Density: | 1.1±0.1 g/cm3 |
| Boiling Point: | 254.8±23.0 °C at 760 mmHg |
| Flash Point: | 107.9±22.6 °C |
| Appearance: | White to off-white powder |
| PSA: | 38.33000 |
| LogP: | 1.26640 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 43224-75-52,2,6,6-Tetramethyl-4-(2-propyleneoxy) Piperidine
What can I do for you?
Get Best Price
Specification
The (1S,3aR,6aS)-Ethyl octahydrocyclopenta[c]pyrrole-1-carboxylate, with the CAS registry number 402958-25-2, is also known as Cyclopenta[c]pyrrole-1-carboxylic acid, octahydro-, ethyl ester, (1S,3aR,6aS)-. It belongs to the product categories of Chiral Reagents; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's molecular formula is C10H17NO2 and molecular weight is 183.25. What's more, both its IUPAC name and systematic name are the same which is called Ethyl (1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carboxylate. It can be used as a bicyclic pyrrole derivative used in the preparation of hepatitis C virus (HCV) protease inhibitors.
Physical properties about (1S,3aR,6aS)-Ethyl octahydrocyclopenta[c]pyrrole-1-carboxylate are: (1)ACD/LogP: 1.41±0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.65; (4)ACD/LogD (pH 7.4): -0.72; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.04; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.33 Å2; (13)Index of Refraction: 1.481; (14)Molar Refractivity: 49.3±0.3 cm3; (15)Molar Volume: 173.1±3.0 cm3; (16)Polarizability: 19.5±0.5×10-24cm3; (17)Surface Tension: 34.4±3.0 dyne/cm; (18)Density: 1.1±0.1 g/cm3; (19)Flash Point: 107.9±22.6 °C; (20)Enthalpy of Vaporization: 49.2±3.0 kJ/mol; (21)Boiling Point: 254.8±23.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±0.5 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1
(2) InChI: InChI=1S/C10H17NO2/c1-2-13-10(12)9-8-5-3-4-7(8)6-11-9/h7-9,11H,2-6H2,1H3/t7-,8-,9-/m0/s1
(3) InChIKey: BFZUEHILBXRWGT-CIUDSAMLSA-N