2-(Azacyclotridec-1-EN-2-YL)-1-cyclohexanone
Basic information
- CAS
7363-75-9- Standard SMILES
O=C1CCCCC1C1=NCCCCCCCCCCC1- InChIKey
MTODEPJZNVUEGQ-UHFFFAOYSA-N- Molecular formula
- C18H31NO
- Average molar mass
- 277.4 g/mol
- Monoisotopic mass
- 277.24056461
Names & identifiers
- Preferred name
- 2-(Azacyclotridec-1-EN-2-YL)-1-cyclohexanone
- IUPAC
- 2-(1-azacyclotridecen-2-yl)cyclohexan-1-one
- English name
- 2-(Azacyclotridec-1-en-2-yl)-1-cyclohexanone
- Molecular formula
- C18H31NO
- Molecular weight
- 277.45
Names & synonyms
2-(AZACYCLOTRIDEC-1-EN-2-YL)-1-CYCLOHEXANONERefChem:4596337363-75-9660-773-0AKOS024324850Cyclohexanone, 2-azacyclotridec-1-en-2-yl-
Database identifiers
- CAS
7363-75-9- PubChem CID
- 4096510
- EC Number
- 660-773-0
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 321
Physicochemical properties
- Boiling point
- 165 °C · 165 °C(Press: .2 Torr)
- Density
- 1.03 · 1.03±0.1 g/cm3(Predicted)
- pka
- 8.38 · 8.38±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 413 · H413-H319-H335-H315
- Precautionary statements
- 264 · 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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, 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)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H413-H319-H335-H315
- Precautionary statements
- 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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