Basic information
- CAS
13912-77-1- Standard SMILES
CCN(CC)C(C)CC(=O)Nc1ccccc1- InChIKey
HKOURKRGAFKVFP-UHFFFAOYSA-N- Molecular formula
- C14H22N2O
- Average molar mass
- 234.34 g/mol
- Monoisotopic mass
- 234.17321333
Overview
Octacaine is an organonitrogen compound and an organooxygen compound. It is functionally related to a beta-amino acid.
Names & identifiers
- Preferred name
- Octacaine
- IUPAC
- 3-(diethylamino)-N-phenylbutanamide
- English name
- Octacaine
- Molecular formula
- C14H22N2O
- Molecular weight
- 234.34
Names & synonyms
Octacaine13912-77-15BZF8S8IL5RefChem:1093741Amplicaine3-(Diethylamino)-N-phenylbutanamide3-DiethylaminobutyranilideOctacaine [INN]OctacainaButanamide, 3-(diethylamino)-N-phenyl-3-(Diethylamino)butyranilideOctacainum
Show more names
Aba[anesthetic]β-Diethylaminobutyranilide3-Diethylamino-N-phenylbutanamide3-diethylamino-butyric acid anilide
3-DiethylaminobutyranilidUNII-5BZF8S8IL5OctacainButyranilide, 3-(diethylamino)-beta-DiethylaminobuttersaeureanilidOCTACAINE [MI]OCTACAINE [WHO-DD]SCHEMBL24818
Database identifiers
- CAS
13912-77-1- PubChem CID
- 26329
- DTXSID
DTXSID70864454- ChEMBL
CHEMBL2104563- ChEBI
CHEBI:134953- UNII
- 5BZF8S8IL5
- Nikkaji
- J8.457C
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Melting point
- 46 · 46-47°
- Boiling point
- 1 · bp1 200°
- Density
- 1.022 · 1.022±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Pale Beige to Yellow Oil to Semi-Solid
- pka
- 14.69 · 14.69±0.70(Predicted)
- FDA UNII
- 5 BZF8S8IL5 · 5BZF8S8IL5
Chemistry & industry
Applications
UsesAmplicaine is a novel local anesthetic for the contraluminal transport system.
Suppliers5 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Additional notes
DefinitionChEBI: Octacaine is an organooxygen compound and an organonitrogen compound. It is functionally related to a beta-amino acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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