cis-Octahydroisoindole

CAT: 0572-TRC-O236945-1GSize: 1 gDry Ice: NoHazardous: No

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CAT#:0572-TRC-O236945-1GSize:1 g

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CAS Number

1470-99-1

Synonyms

(3aR,7aS)-rel-Octahydro-1H-isoindole; cis-Hexahydroisoindoline; cis-Octahydro-1H-isoindole;

Hazard Statement

No Data Available

Smiles

C1CC[C@H]2CNC[C@H]2C1

Molecular Formula

C8H15N

Molecular Weight

125.21

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

cis-Octahydroisoindole

CAS Number	1470-99-1
PubChem CID	10964494
IUPAC Name	(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
Molecular Formula	C8H15N
Molecular Weight	125.21
XLogP	1.7
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	88

SMILES

C1CC[C@H]2CNC[C@H]2C1

InChI

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

InChIKey

ODSNARDHJFFSRH-OCAPTIKFSA-N

Chemical Structure

2D Structure

CAS: 1470-99-1

CID: 10964494

Formula: C8H15N

MW: 125.21

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	125.21
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	125.120449483
Monoisotopic Mass	125.120449483
Topological Polar Surface Area	12 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	88.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
285990-01	Cis-Octahydroisoindole
GTR19166568-01	Octahydroisoindole
OR1012666-01	Cis Cis-Muconic Acid
sc-234397	Cis, cis, cis, cis-1,2,3,4-Cyclopentanetetracarboxylic acid
C6988-500	cis,cis-Muconic acid
FM178485-01	Cis, cis-Muconic acid

cis-Octahydroisoindole

Chemical Information

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