Hexamide
Basic information
- CAS
3653-39-2- Standard SMILES
O=C(c1ccccc1)N1CCCCCC1- InChIKey
KZLCCMBSJDXNDG-UHFFFAOYSA-N- Molecular formula
- C13H17NO
- Average molar mass
- 203.28 g/mol
- Monoisotopic mass
- 203.13101417
Names & identifiers
- Preferred name
- Hexamide
- IUPAC
- azepan-1-yl(phenyl)methanone
- English name
- 1-Benzoylhexahydro-1H-azepine
- Molecular formula
- C13H17NO
- Molecular weight
- 203.28
Names & synonyms
HexamideBenzimine3653-39-21-Benzoylhexahydro-1H-azepineBenziminP 401 (insect repellent)1-BenzoylperhydroazepineN-BenzoylhexahydroazepineN-Benzoylhexamethylenimine1-BenzoylhexamethylenimineN-BenzoylhexamethyleneimineHexamethylene, 1-benzoyl-
Show more names
1-BENZOYLAZEPANEazepan-1-yl-phenyl-methanoneMethanone, (hexahydro-1H-azepin-1-yl)phenyl-
Hexamid (insect repellent)1H-Azepine, 1-benzoylhexahydro-BRN 0148075Y01T1YIK70Perhydroazepin-1-yl phenyl ketoneP 401R 225DTXSID80190034
Database identifiers
- CAS
3653-39-2- PubChem CID
- 145704
- DTXSID
DTXSID80190034- ChEMBL
CHEMBL1547433- UNII
- Y01T1YIK70
- EC Number
- 808-815-0
- Nikkaji
- J2.664.129B
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Melting point
- 34 · 34-35 °C
- Boiling point
- 206 · 206-208 °C(Press: 19 Torr)
- Density
- 1.057 · 1.057±0.06 g/cm3(Predicted)
- pka
- -1.14 · -1.14±0.20(Predicted)
- FDA UNII
- 1 T1YIK70 · Y01T1YIK70
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
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
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (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 CategoriesEye Dam. 1 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H318
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Applications
UsesHexamide (Benzamine) is a fungal inhibitor. Hexamide is effective against Trichophyton[1].
Suppliers
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Related reactions
3 records
Compound notes
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