Basic information
- CAS
21455-90-3- Standard SMILES
CC1(C)CNC(=O)CC(=O)C1- InChIKey
PCQIZHCFAKRVNL-UHFFFAOYSA-N- Molecular formula
- C8H13NO2
- Average molar mass
- 155.19 g/mol
- Monoisotopic mass
- 155.09462866
Names & identifiers
- Preferred name
- 6,6-Dimethylazepane-2,4-dione
- IUPAC
- 6,6-dimethylazepane-2,4-dione
- English name
- 6,6-diMethylazepane-2,4-dione
- Molecular formula
- C8H13NO2
- Molecular weight
- 155.19432
Names & synonyms
6,6-Dimethylazepane-2,4-dione21455-90-3DTXSID60493156RefChem:306066DTXCID30443966961-975-4SCHEMBL3045346,6-dimethylazepan-2,4-dionePCQIZHCFAKRVNL-UHFFFAOYSA-NWAA45590MFCD16658128SY577165
Show more names
6,6-dimethyltetrahydro-2H-azepine-2,4(3H)-dione
DB-129438EN300-246159I840336,6-dimethyl-1h-2,3,4,5,6,7-hexahydroazepine-2,4-dione
Database identifiers
- CAS
21455-90-3- PubChem CID
- 12349287
- DTXSID
DTXSID60493156- EC Number
- 961-975-4
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
Related reactions
1 records
Compound notes
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