CAS 21850-12-4 | 1H-Isoindole, octahydro- | CAS Number 21850-12-4

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21850-12-4 | 1H-Isoindole, octahydro-

CAS No: 21850-12-4 Catalog No: AG00I48L MDL No:MFCD03265253

Product Description

Catalog Number:

AG00I48L

Chemical Name:

1H-Isoindole, octahydro-

CAS Number:

21850-12-4

Molecular Formula:

C8H15N

Molecular Weight:

125.2114

MDL Number:

MFCD03265253

IUPAC Name:

2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole

InChI:

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

InChI Key:

ODSNARDHJFFSRH-UHFFFAOYSA-N

SMILES:

C1CCC2C(C1)CNC2

Properties

Complexity:

88.7

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

125.12g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

125.215g/mol

Monoisotopic Mass:

125.12g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

12A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

Literature

Title	Journal
Benzyl 2-benzyl-4-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octa-hydro-1H-isoindol-2-yl]-4-oxobutano-ate.	Acta crystallographica. Section E, Structure reports online 20121001
Remodelling of the natural product fumagillol employing a reaction discovery approach.	Nature chemistry 20111201
Synthesis and pharmacological characterization of bicyclic triple reuptake inhibitor 3-aryl octahydrocyclopenta[c]pyrrole analogues.	Journal of medicinal chemistry 20110811
Total synthesis of (±)-kainic acid: a photochemical C-H carbamoylation approach.	Organic letters 20110520