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HomeProduct name listOctahydro-1H-indole-2-carboxylic acid

Octahydro-1H-indole-2-carboxylic acid

Octahydro-1H-indole-2-carboxylic acid Structural

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)
ghs
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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