Basic information
- CAS
10330-67-3- Standard SMILES
C=CCOc1cc(Cl)ccc1C(=O)NCCN(C)C- InChIKey
ZBXXJZMTBSZEQQ-UHFFFAOYSA-N- Molecular formula
- C14H19ClN2O2
- Average molar mass
- 282.76 g/mol
- Monoisotopic mass
- 282.1135055
Names & identifiers
- Preferred name
- Benzamide, 2-(allyloxy)-4-chloro-N-(2-(dimethylamino)ethyl)-
- IUPAC
- 4-chloro-N-[2-(dimethylamino)ethyl]-2-prop-2-enoxybenzamide
- English name
- 2-(Allyloxy)-4-chloro-N-[2-(dimethylamino)ethyl]benzamide
- Molecular formula
- C14H19ClN2O2
- Molecular weight
- 282.77
Names & synonyms
264CD10330-67-3BENZAMIDE, 2-(ALLYLOXY)-4-CHLORO-N-(2-(DIMETHYLAMINO)ETHYL)-2-(Allyloxy)-4-chloro-N-(2-(dimethylamino)ethyl)benzamideDTXSID101457742-(Allyloxy)-4-chloro-N-[2-(dimethylamino)ethyl]benzamideRefChem:321336DTXCID70682654-chloro-N-[2-(dimethylamino)ethyl]-2-prop-2-enoxybenzamideSCHEMBL303918134-Chloro-N-[2-(dimethylamino)ethyl]-2-[(prop-2-en-1-yl)oxy]benzamide264 CD
Show more names
Benzamide, 4-chloro-N-[2-(dimethylamino)ethyl]-2-(2-propen-1-yloxy)-
Database identifiers
- CAS
10330-67-3- PubChem CID
- 25161
- DTXSID
DTXSID10145774- Nikkaji
- J148.975E
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Boiling point
- 406.3 · 406.3±45.0 °C(Predicted)
- Density
- 1.128 · 1.128±0.06 g/cm3(Predicted)
- pka
- 14.01 · 14.01±0.46(Predicted)
- Toxicity
- 50 subcutaneous · LD50 subcutaneous in mouse: 150mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 subcutaneous in mouse: 150mg/kg
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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