Structure

(1S,6S)-2,8-Diazabicyclo[4.3.0]nonane

CAS
151213-40-0
Catalog Number
ACM151213400
Category
Amines
Molecular Weight
126.20
Molecular Formula
C7H13NO3

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Specification

Synonyms
CIS-OCTAHYDROPYRROLO[3,4-B]PYRIDINE;(R,R)-2,8-DIAZABICYCLO[4,3,0]NONANE;(4aS,7aS)-Octahydro-1H-pyrrolo[3,4-b]pyridine (4aS-cis)-Octahydro-1H-pyrrolo[3,4-b]pyridine;1H-Pyrrolo[3,4-b]pyridine, octahydro-;cis-Octahydro-pyrrolo[3,4-b]pyridine 2HCl;(4aS,7aS)-
Density
0.95 g/cm³
Appearance
Light Pink Oil
Hazard Statements
H319
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the molecular formula of (1S,6S)-2,8-Diazabicyclo[4.3.0]nonane?

The molecular formula is C7H14N2.

What is the molecular weight of (1S,6S)-2,8-Diazabicyclo[4.3.0]nonane?

The molecular weight is 126.20 g/mol.

What is the IUPAC name of (1S,6S)-2,8-Diazabicyclo[4.3.0]nonane?

The IUPAC name is (4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine.

What is the InChIKey of (1S,6S)-2,8-Diazabicyclo[4.3.0]nonane?

The InChIKey is KSCPLKVBWDOSAI-NKWVEPMBSA-N.

How many hydrogen bond donor counts are there in (1S,6S)-2,8-Diazabicyclo[4.3.0]nonane?

There are 2 hydrogen bond donor counts.

What is the exact mass of (1S,6S)-2,8-Diazabicyclo[4.3.0]nonane?

The exact mass is 126.115698455 g/mol.

What is the topological polar surface area of (1S,6S)-2,8-Diazabicyclo[4.3.0]nonane?

The topological polar surface area is 24.1Ų.

How many defined atom stereocenter counts are there in (1S,6S)-2,8-Diazabicyclo[4.3.0]nonane?

There are 2 defined atom stereocenter counts.

Is (1S,6S)-2,8-Diazabicyclo[4.3.0]nonane a canonicalized compound?

Yes, the compound is canonicalized.

What is the complexity value of (1S,6S)-2,8-Diazabicyclo[4.3.0]nonane?

The complexity value is 103.

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