1-Acetyl-1,4-diazepan-5-one
Basic information
- CAS
1343572-05-3- Standard SMILES
CC(=O)N1CCNC(=O)CC1- InChIKey
VBHHQCFPKDZJGQ-UHFFFAOYSA-N- Molecular formula
- C7H12N2O2
- Average molar mass
- 156.18 g/mol
- Monoisotopic mass
- 156.08987763
Names & identifiers
- Preferred name
- 1-Acetyl-1,4-diazepan-5-one
- IUPAC
- 1-acetyl-1,4-diazepan-5-one
Names & synonyms
1-acetyl-1,4-diazepan-5-one1343572-05-3RefChem:428965870-110-9SCHEMBL16751026TDC57205AKOS009106500EN300-116818G57498
Database identifiers
- CAS
1343572-05-3- PubChem CID
- 60707887
- EC Number
- 870-110-9
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 179
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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