1-(Pyridin-2-yl)azepan-2-one
Basic information
- CAS
51263-32-2- Standard SMILES
O=C1CCCCCN1c1ccccn1- InChIKey
JRMTZHXHEXFTMZ-UHFFFAOYSA-N- Molecular formula
- C11H14N2O
- Average molar mass
- 190.24 g/mol
- Monoisotopic mass
- 190.11061307
Names & identifiers
- Preferred name
- 1-(Pyridin-2-yl)azepan-2-one
- IUPAC
- 1-pyridin-2-ylazepan-2-one
- English name
- Hexahydro-1-(2-pyridyl)-2H-azepin-2-one
- Molecular formula
- C11H14N2O
- Molecular weight
- 190.24
Names & synonyms
1-(pyridin-2-yl)azepan-2-one51263-32-2Hexahydro-1-(2-pyridyl)-2H-azepin-2-one2H-Azepin-2-one, hexahydro-1-(2-pyridyl)-2H-Azepin-2-one, hexahydro-1-(2-pyridinyl)-NSC 84218BRN 0395989NT1WH308Y3NSC-84218DTXSID401992655-22-08-00360 (Beilstein Handbook Reference)HEXAHYDRO-1-(2-PYRIDINYL)-2H-AZEPIN-2-ONE
Show more names
RefChem:428514DTXCID701217562H-Azepin-2-one, hexahydro-1-(2-pyridinyl)-(9CI)654-469-71-Pyridin-2-ylazepan-2-oneNSC84218Azepin-2-one der.UNII-NT1WH308Y3
Database identifiers
- CAS
51263-32-2- PubChem CID
- 72795
- DTXSID
DTXSID40199265- UNII
- NT1WH308Y3
- EC Number
- 654-469-7
- Nikkaji
- J84.654F
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 33.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- FDA UNII
- 1 WH308Y3 · NT1WH308Y3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications 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
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…