Hexahydroindolizine-1,5-dione
Basic information
- CAS
1506072-33-8- Standard SMILES
O=C1CCN2C(=O)CCCC12- InChIKey
ZOBVPFYDIUBSGH-UHFFFAOYSA-N- Molecular formula
- C8H11NO2
- Average molar mass
- 153.18 g/mol
- Monoisotopic mass
- 153.07897859
Names & identifiers
- Preferred name
- Hexahydroindolizine-1,5-dione
- IUPAC
- 2,3,6,7,8,8a-hexahydroindolizine-1,5-dione
- English name
- hexahydroindolizine-1,5-dione
- Molecular formula
- C8H11NO2
- Molecular weight
- 153.18
Names & synonyms
Hexahydroindolizine-1,5-dione1506072-33-8RefChem:786170819-890-4octahydroindolizine-1,5-dioneGKC07233EN300-16016571,5-Indolizinedione, hexahydro-
Database identifiers
- CAS
1506072-33-8- PubChem CID
- 83671095
- EC Number
- 819-890-4
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Boiling point
- 326.8 · 326.8±21.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- -0.93 · -0.93±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H315-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319-H315-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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