(3aR,7aS)-Octahydro-1H-isoindole hydrochloride (1:1)

Basic Information

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CAS Number

161829-92-1

Molecular Formula

C8H16ClN

Molecular Weight

161.68 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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C1CCC2CNCC2C1.Cl

InChI

InChI=1S/C8H15N.ClH/c1-2-4-8-6-9-5-7(8)3-1;/h7-9H,1-6H2;1H/t7-,8+;

InChIKey

CLQIZUYXKFTUEB-KVZVIFLMSA-N

LogP

1.8178

Topological Polar Surface Area

12.03 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

88.7

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

Cis-hexahydroisoindole, HCl
(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole;hydrochloride
AKOS015915066
Cis-Hexahydroisoindoline Hydrogen Chloride
cis-Octahydroisoindole hydrochloride
MFCD09026400
cis-Hexahydroisoindoline HCl
A883054
(3aR,7aS)-octahydro-1H-isoindolehydrochloride
cis-Octahydroisoindole HCl
1H-Isoindole, octahydro-, hydrochloride, (3aR,7aS)-rel-
DTXSID40670009
(3aR,7aS)-2,3,3a,4,5,6,7,7a-Octahydro-1H-isoindole hydrochloride
CS-0145443
(3Ar,7as)-rel-octahydro-1H-isoindole hydrochloride
SCHEMBL21460172
(3aR,7aS)-Octahydro-1H-isoindole--hydrogen chloride (1/1)
(3Ar,7as)-octahydro-1H-isoindole HCl
(3aR,7aS)-octahydro-1H-isoindole hydrochloride
Z1198182421
cis-Octahydro-1H-isoindole hydrochloride
161829-92-1
AC-24415
EN300-245188
rel-(3aR,7aS)-Octahydro-1H-isoindole hydrochloride
DS-15518
2097437-01-7
AC7755
Cis-hexahydroisoindole hydrochloride
cis-Octahydroisoindole Hydrochloride
1H-Isoindole,octahydro-, hydrochloride (1:1), (3aR,7aS)-rel-

MDL Number

MFCD09026400

FAQ

What is (3aR,7aS)-Octahydro-1H-isoindole hydrochloride (CAS: 161829-92-1)?

(3aR,7aS)-Octahydro-1H-isoindole hydrochloride (CAS: 161829-92-1) is a white crystalline compound with a molecular formula of C8H12ClNO. It is characterized by its pungent odor and is commonly used as a research reagent and intermediate in the synthesis of various compounds.

What are the main uses of (3aR,7aS)-Octahydro-1H-isoindole hydrochloride (CAS: 161829-92-1)?

(3aR,7aS)-Octahydro-1H-isoindole hydrochloride (CAS: 161829-92-1) is primarily used in pharmaceutical research, serving as a building block for the synthesis of biologically active compounds. It is also utilized in the production of certain chemical intermediates and as a reagent in organic synthesis.

Is (3aR,7aS)-Octahydro-1H-isoindole hydrochloride (CAS: 161829-92-1) safe?

(3aR,7aS)-Octahydro-1H-isoindole hydrochloride (CAS: 161829-92-1) is generally safe when handled with proper precautions. It is important to avoid contact with skin and eyes. Ensure good ventilation during use and follow all standard safety guidelines for chemical handling.

How should (3aR,7aS)-Octahydro-1H-isoindole hydrochloride (CAS: 161829-92-1) be stored?

(3aR,7aS)-Octahydro-1H-isoindole hydrochloride (CAS: 161829-92-1) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. Store in a well-ventilated area and avoid contact with incompatible materials such as strong bases or oxidizers.