(2S,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid

Basic Information

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CAS Number

80875-98-5

Molecular Formula

C9H15NO2

Molecular Weight

169.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

270°C(dec.)

Boiling Point

318.6±25.0 °C at 760 mmHg

Density

1.1350

Water Solubility

Soluble in methanol and water.

Flash Point

146.5±23.2 °C

Refractive Index

1.507

Vapor Pressure

0.0±1.5 mmHg at 25°C

Specific Rotation

-46 to -50° (c=1, methanol)

SMILES

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C1CCC2C(C1)CC(N2)C(=O)O

InChI

InChI=1S/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-/m0/s1

InChIKey

CQYBNXGHMBNGCG-FXQIFTODSA-N

LogP

0.9916999999999996

Topological Polar Surface Area

49.33 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

193

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

REL-(2S,3AS,7AS)-OCTAHYDRO-1H-INDOLE-2-CARBOXYLIC ACID
(2S,3aS,7aS)-Octahydro-1H-indolium-2-carboxylate
DB03409
9ID44U804I
AKOS001215436
HMS1759A13
2-Carboxyoctahydroindole, (2S,3aS,7aS)-
Octahydroindole-2-Carboxylic Acid
(2S,3aS,7aS)-octahydro-1H-indole-2-carboxylic acid
CS-B0794
NS00038095
L-(2S,3aS,7aS)-Octahydroindole-2-carboxylic Acid
(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid
HY-20302
2-Carboxyoctahydroindole, (2S,3aS,7aS)-(-)-
SCHEMBL1414979
80875-98-5
Perindopril impurity A, European Pharmacopoeia (EP) Reference Standard
Perindopril impurity A
AB00979926-01
CQYBNXGHMBNGCG-FXQIFTODSA-N
Z169856808
(2S,3AS,7AS)-PERHYDROINDOLE-2-CARBOXYLIC ACID
(2S,3AS,7AS)-2-Carboxyoctahydroindole
(2S, 3aS,7aS)-Octahydro-indole-2-carboxylic acid
Q27272593
MFCD07782125
(2S,3aS,7aS)octahydro-1H-indole-2-carboxylic acid
(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-1-ium-2-carboxylate
DTXSID00230764
1H-Indole-2-carboxylic acid, octahydro-, (2S-(2alpha,3abeta,7abeta))-

MDL Number

MFCD07782125

Customs Code

2933990090

FAQ

What is (2S,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid (CAS: 80875-98-5)?

(2S,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid, with the CAS number 80875-98-5, is a complex organic compound belonging to the class of indole derivatives. It has a molecular formula of C10H15NO3 and is known for its unique stereochemistry, with three chiral centers. This compound is typically characterized by its solid-state properties and is used in specialized chemical applications.

What are the main uses of (2S,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid (CAS: 80875-98-5)?

(2S,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid (CAS: 80875-98-5) is primarily used in pharmaceutical research for the development of drugs targeting neurological disorders. It also finds applications in organic synthesis as an intermediate and in the creation of bioactive compounds for medicinal and therapeutic purposes.

Is (2S,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid (CAS: 80875-98-5) safe?

The safety of (2S,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid (CAS: 80875-98-5) depends on its application and handling. It is generally considered safe when used in controlled laboratory environments. However, proper safety precautions, including the use of personal protective equipment, are recommended to avoid skin contact and inhalation. Safety data sheets should be consulted for detailed handling guidelines.

How should (2S,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid (CAS: 80875-98-5) be stored?

(2S,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid (CAS: 80875-98-5) should be stored in a cool, dry, and dark place, ideally at temperatures below 25°C. It should be kept in a sealed container to prevent moisture exposure and maintain stability. Avoiding prolonged exposure to light and air is also recommended to preserve its chemical integrity.