(2R,3aR,7aR)-rel-OctahydroIndole-2-carboxylicAcid , 98% , 80828-13-3

CAS NO.：80828-13-3

Empirical Formula: C9H15NO2

Molecular Weight: 169.22

MDL number: MFCD00171406

PRODUCT Properties

• 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)
• form: Solid
• pka: 2.47±0.20(Predicted)
• 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
• InChIKey: CQYBNXGHMBNGCG-VTCOHLDGNA-N
• SMILES: N1[C@@]2([H])[C@]([H])(CCCC2)C[C@@H]1C(O)=O |&1:1,3,10,r|
• CAS DataBase Reference: 80828-13-3(CAS DataBase Reference)

Description and Uses

(2R,3aR,7aR)-rel-OctahydroIndole-2-carboxylic Acid is a reactant in the preparation of Perindoprilat (P287530), an angiotensin-converting enzyme (ACE) inhibitor. Antihypertensive.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319
• Precautionary statements: P264-P280-P302+P352-P337+P313-P362+P364-P332+P313