Basic information
- CAS
34392-00-2- Standard SMILES
CC1(C)CNC(=O)CC(C)(C)N1- InChIKey
PKVUCJZQNJSHIH-UHFFFAOYSA-N- Molecular formula
- C9H18N2O
- Average molar mass
- 170.25 g/mol
Names & identifiers
- Preferred name
- 2,2,7,7-Tetramethyl-1,4-diazepan-5-one
- IUPAC
- 2,2,7,7-tetramethyl-1,4-diazepan-5-one
Names & synonyms
2,2,7,7-Tetramethyl-1,4-diazepan-5-one34392-00-2MLS000720033SMR000304562Cambridge id 5510949Oprea1_204917Cycloheptanone, 2,5-diaza-4,4,6,6-tetramethyl-cid_546910CHEMBL1491337SCHEMBL10754012BDBM73672HMS1607H22
Show more names
JBA39200AKOS0219840022,2,7,7-tetramethyl-5-homopiperazinoneCS-0235618EU-00009682,2,7,7-Tetramethyl-1,4-diazepan-5-one #EN300-15902252,2,7,7-tetramethyl-1,4-diazacycloheptan-5-one
Database identifiers
- CAS
34392-00-2- PubChem CID
- 546910
- ChEMBL
CHEMBL1491337- EC Number
- 178-925-5
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 197
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
13 records
Compound notes
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