Octahydroindolizin-7-one

HCID 11240524CAS 2407-99-0

Substructure search Find similar structures

Basic information

Standard SMILES: O=C1CCN2CCCC2C1
InChIKey: CQTKSBAHMPWPQD-UHFFFAOYSA-N
Molecular formula: C8H13NO
Average molar mass: 139.19 g/mol

Names & identifiers

Preferred name: Octahydroindolizin-7-one
IUPAC: 2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one
English name: hexahydro-7(1H)-Indolizinone
Molecular formula: C8H13NO
Molecular weight: 139.19

Names & synonyms

2407-99-0octahydroindolizin-7-oneRefChem:855879858-078-4Hexahydroindolizin-7(1H)-onehexahydro-7(1H)-indolizinoneHexahydro-indolizin-7-one2,3,5,6,8,8a-hexahydro-1H-indolizin-7-oneMFCD170131527(1H)-Indolizinone,hexahydro-,(8as)-(9ci)7-octahydroindolizinoneSCHEMBL94206

Show more names

Hexahydro-indolizin-7-one95+%Azabicyclo[4,3,0]nonan-4-oneWLZ2813CQTKSBAHMPWPQD-UHFFFAOYSA-N2289579-60-6CAA407991-Azabicyclo[4,3,0]nonan-4-oneAKOS022718645

Database identifiers

CAS: 2407-99-0
PubChem CID: 11240524
EC Number: 858-078-4
Nikkaji: J742.850B

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 155

Physicochemical properties

storage temp.: 2 · 2-8°C, protect from light
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 315 · H315-H318-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P310-P332+P313-P362-P403+P233-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS05,GHS07
Hazard statements: H315-H318-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P310-P332+P313-P362-P403+P233-P405-P501