Basic information
- CAS
330468-92-3- Standard SMILES
O=C(NC1CCCCCC1)c1cccc(Cl)c1- InChIKey
CFAOEBFSQCPXKM-UHFFFAOYSA-N- Molecular formula
- C14H18ClNO
- Average molar mass
- 251.75 g/mol
- Monoisotopic mass
- 251.1076919
Names & identifiers
- Preferred name
- 3-chloro-N-cycloheptylbenzamide
- IUPAC
- 3-chloro-N-cycloheptylbenzamide
- English name
- 3-chloro-N-cycloheptylbenzamide
- Molecular formula
- C14H18ClNO
- Molecular weight
- 251.75
Names & synonyms
3-chloro-N-cycloheptylbenzamide330468-92-33-chloro-N-cycloheptylbenzenecarboxamide3-Chloro-N-cycloheptyl-benzamideCBMicro_025081Cambridge id 5570136CCG-12062STK034090AKOS001414353(3-chlorophenyl)-N-cycloheptylcarboxamideBIM-0025006.P001CS-0323544
Show more names
Benzamide, 3-chloro-N-cycloheptyl-
ST504496677N-079AB00089689-01AG-690/11635718
Database identifiers
- CAS
330468-92-3- PubChem CID
- 798971
- EC Number
- 163-601-8
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Boiling point
- 398.3 · 398.3±25.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 14.09 · 14.09±0.20(Predicted)
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
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, 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 CategoriesAquatic Chronic 2 (100%)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…