(4aS,7aS)-Octahydro-1H-pyrrolo[3,4-b]pyridine

Basic Information

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CAS Number

151213-40-0

Molecular Formula

C7H14N2

Molecular Weight

126.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

59°C/0.14mmHg

Flash Point

87 ºC

Refractive Index

n20/D1.515

SMILES

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C1CC2CNCC2NC1

InChI

InChI=1S/C7H14N2/c1-2-6-4-8-5-7(6)9-3-1/h6-9H,1-5H2/t6-,7+/m0/s1

InChIKey

KSCPLKVBWDOSAI-NKWVEPMBSA-N

LogP

-0.04220000000000018

Topological Polar Surface Area

24.06 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

103

Safety Information

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GHS Hazard Pictograms

H318

Hazard Statement

H318 Causes serious eye damage
Serious eye damage/eye irritation

Synonyms & References

English

(4aS,7aS)-1H-octahydropyrrolo[3,4-b]pyridine
151213-42-2
SCHEMBL606385
151213-40-0
(S,S)-2,8-Diazabicyclo [4,3,0]nonane
KSCPLKVBWDOSAI-NKWVEPMBSA-N
(1S,6S)-2,8-Diazabicyclo[4.3.0]nonane, 97%
AC-24293
(S,S)-2,8-DIAZABICYCLO[4.3.0]NONANE
AS-13398
(4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine
FD6047
A809136
D4210
CS-W013491
CHEMBL4519880
(S,S)-2,8-DIAZABICYCLO[4,3,0]NONANE
J-520093
BCP28309
AC-313
EN300-84574
MFCD08458306
AMY30084
Octahydro-pyrrolo[3,4-b]pyridine;(S,S)-2,8-Diazabicyclo [4,3,0]nonane
AKOS015854365
(1S,6S)-2,8-Diazabicyclo[4.3.0]nonane
1H-Pyrrolo[3,4-b]pyridine, octahydro-, (4aS,7aS)-
1H-Pyrrolo[3,4-b]pyridine, octahydro-, (4aS,7aS)-; 1H-Pyrrolo[3,4-b]pyridine, octahydro-, (4aS-cis)-; (1S,6S)-2,8-Diazabicyclo[4.3.0]nonane; (1S,6S)-cis-2,8-Diazabicyclo[4.3.0]nonane; (4AS,7aS)-Octahydro-1H-pyrrole[3,4-b]pyridine; (S,S)-2,8-Diazabicyclo[4.3.0]nonane
cis-2,8-diazabicyclo[4.3.0]nonane
(4aS,7aS)-Octahydro-1H-pyrrolo[3,4-b]pyridine
(S,S)-2,8-Diazabicyclo[4.3.0]nonane

MDL Number

MFCD08458306

Customs Code

2933990090

FAQ

What is (4aS,7aS)-Octahydro-1H-pyrrolo[3,4-b]pyridine (CAS: 151213-40-0)?

It is a chemical compound with the CAS number 151213-40-0, belonging to the pyrrolopyridine family. Its molecular formula is C8H13N, and it exhibits structural characteristics of a fully saturated, bicyclic system with stereochemistry at the 4a and 7a positions. It is commonly used as a pharmaceutical intermediate and in organic synthesis due to its unique ring structure and reactivity.

What are the main uses of (4aS,7aS)-Octahydro-1H-pyrrolo[3,4-b]pyridine (CAS: 151213-40-0)?

This compound is primarily utilized in pharmaceutical research for drug development, particularly in the synthesis of neuroactive agents and antipsychotic medications. It also serves as a key intermediate in organic chemistry for creating complex heterocyclic structures. Its applications extend to medicinal chemistry and academic studies focusing on bioactive compounds and chemical reactivity.

Is (4aS,7aS)-Octahydro-1H-pyrrolo[3,4-b]pyridine (CAS: 151213-40-0) safe?

Safety depends on proper handling. It is generally considered safe when used in controlled environments, but it may exhibit mild toxicity if ingested or inhaled. Protective measures such as gloves, goggles, and ventilation are recommended. Safety standards for chemical handling and storage should be followed to ensure minimal risk during laboratory work or industrial applications.

How should (4aS,7aS)-Octahydro-1H-pyrrolo[3,4-b]pyridine (CAS: 151213-40-0) be stored?

Store in a cool, dry place (ideally below 25°C), away from light, and in a sealed, airtight container to maintain stability. Avoid exposure to moisture and strong oxidizing agents. Keep in a well-ventilated area and ensure proper labeling for safe handling. Storage conditions should comply with standard chemical safety protocols for its class.