Octahydro-1H-indole-2-carboxylic acid
- CAS NO.：80828-13-3
- Empirical Formula: C9H15NO2
- Molecular Weight: 169.22
- MDL number: MFCD00171406
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-12-25 19:53:00
What is Octahydro-1H-indole-2-carboxylic acid?
Chemical properties
White Crystalline Solid
The Uses of Octahydro-1H-indole-2-carboxylic acid
Trandolapril intermediate
The Uses of Octahydro-1H-indole-2-carboxylic acid
(2R,3aR,7aR)-rel-OctahydroIndole-2-carboxylic Acid is a reactant in the preparation of Perindoprilat (P287530), an angiotensin-converting enzyme (ACE) inhibitor. Antihypertensive.
Properties of Octahydro-1H-indole-2-carboxylic acid
| Melting point: | 233-234 °C (decomp)(Solv: 1,4-dioxane (123-91-1); water (7732-18-5)) |
| Boiling point: | 318.6±25.0 °C(Predicted) |
| Density | 1.135±0.06 g/cm3(Predicted) |
| storage temp. | -15°C |
| solubility | Methanol (Slightly), Water (Slightly) |
| pka | 2.47±0.20(Predicted) |
| form | Solid |
| color | White to Off-White |
| InChI | InChI=1/C9H15NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h6-8,10H,1-5H2,(H,11,12)/t6-,7-,8-/s3 |
| CAS DataBase Reference | 80828-13-3(CAS DataBase Reference) |
Safety information for Octahydro-1H-indole-2-carboxylic acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. |
Computed Descriptors for Octahydro-1H-indole-2-carboxylic acid
| InChIKey | CQYBNXGHMBNGCG-VTCOHLDGNA-N |
| SMILES | N1[C@@]2([H])[C@]([H])(CCCC2)C[C@@H]1C(O)=O |&1:1,3,10,r| |
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