Basic information
- CAS
5486-77-1- Standard SMILES
C=CCOc1cc(Cl)ccc1C(=O)NCCN(CC)CC- InChIKey
UHWFVIPXDFZTFA-UHFFFAOYSA-N- Molecular formula
- C16H23ClN2O2
- Average molar mass
- 310.82 g/mol
- Monoisotopic mass
- 310.1448057
Overview
Alloclamide is an organohalogen compound and a carbonyl compound.
Names & identifiers
- Preferred name
- Alloclamide
- IUPAC
- 4-chloro-N-[2-(diethylamino)ethyl]-2-prop-2-enoxybenzamide
- English name
- Alloclamide
- Molecular formula
- C16H23ClN2O2
- Molecular weight
- 310.823
Names & synonyms
Alloclamide5486-77-1AloclamidaAlloclamidumDTXSID90488532-(Allyloxy)-4-chloro-N-(2-(diethylamino)ethyl)benzamideH7B263Z7AQ2-(allyloxy)-4-chloro-n-[2-(diethylamino)ethyl]benzamideDTXCID2028779RefChem:1108002-allyloxy-4-chloro-N-(2-diethylaminoethyl)benzamide4-chloro-N-[2-(diethylamino)ethyl]-2-prop-2-enoxybenzamide
Show more names
Benzamide, 4-chloro-N-[2-(diethylamino)ethyl]-2-(2-propen-1-yloxy)-
AlloclamidaNCGC00181914-01Alloclamide [INN:DCF]264CEAlloclamidum [INN-Latin]Aloclamida [INN-Spanish]CE 264264 CE
Database identifiers
- CAS
5486-77-1- PubChem CID
- 71837
- DTXSID
DTXSID9048853- ChEMBL
CHEMBL2103989- ChEBI
CHEBI:135326- UNII
- H7B263Z7AQ
- Nikkaji
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 321
Physicochemical properties
- Melting point
- 126 °C · 126°C
- Boiling point
- 201 °C · 201°C (rough estimate)
- Density
- 1.1476 · 1.1476 (rough estimate)
- refractive index
- 1.52 · 1.5200 (estimate)
- pka
- 13.89 · 13.89±0.46(Predicted)
- FDA UNII
- 7 B263Z7AQ · H7B263Z7AQ
- Toxicity
- 50 oral · LD50 oral in rat: > 3gm/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 oral in rat: > 3gm/kg
Chemistry & industry
Suppliers1 total
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Additional notes
DefinitionChEBI: Alloclamide is an organohalogen compound and a carbonyl compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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