Basic information
- CAS
71685-41-1- Standard SMILES
CCOC(=O)c1c(C(=O)Cc2c(CCN(C)C)cc3c(c2OC)OCO3)ccc(OC)c1OC- InChIKey
MKJDRNNCXMLCPO-UHFFFAOYSA-N- Molecular formula
- C25H31NO8
- Average molar mass
- 473.5 g/mol
- Monoisotopic mass
- 473.20496695
Names & identifiers
- Preferred name
- Ethyl 6-((6-(2-(dimethylamino)ethyl)-4-methoxy-1,3-benzodioxol-5-yl)acetyl)-2,3-dimethoxybenzoate
- IUPAC
- ethyl 6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoate
- English name
- ethyl 6-[[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoate
- Molecular formula
- C25H31NO8
- Molecular weight
- 473.52
Names & synonyms
Ethylnarceine71685-41-1TR4P0J5V84Ethyl 6-((6-(2-(dimethylamino)ethyl)-4-methoxy-1,3-benzodioxol-5-yl)acetyl)-2,3-dimethoxybenzoateUNII-TR4P0J5V84EINECS 275-838-5ETHYL NARCEINATEDTXSID00221915MKJDRNNCXMLCPO-UHFFFAOYSA-NNS00037270Q27290197BENZOIC ACID, 6-((6-(2-(DIMETHYLAMINO)ETHYL)-4-METHOXY-1,3-BENZODIOXOL-5-YL)ACETYL)-2,3-DIMETHOXY-, ETHYL ESTER
Show more names
Narcene ethylateethyl 6-[[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoate6-[[6-[2-(Dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoic acid ethyl ester2,3-Dimethoxy-6-[[5-[2-(dimethylamino)ethyl]-7-methoxy-1,3-benzodioxole-6-yl]acetyl]benzoic acid ethyl esterBenzoic acid, 6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxy-, ethyl ester
BENZOIC ACID, 6-(2-(6-(2-(DIMETHYLAMINO)ETHYL)-4-METHOXY-1,3-BENZODIOXOL-5-YL)ACETYL)-2,3-DIMETHOXY-, ETHYL ESTEREthyl 6-({6-[2-(dimethylamino)ethyl]-4-methoxy-2H-1,3-benzodioxol-5-yl}acetyl)-2,3-dimethoxybenzoate
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 673
Physicochemical properties
- Boiling point
- 605.5 · 605.5±55.0 °C(Predicted)
- Density
- 1.206 · 1.206±0.06 g/cm3(Predicted)
- pka
- 9.2 · 9.20±0.28(Predicted)
- FDA UNII
- 4 P0J5V84 · TR4P0J5V84
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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