Basic information
- CAS
53352-75-3- Standard SMILES
CCCCNc1ccc(C(=O)OCCN(CC)CC)c(OCC)c1- InChIKey
PJAVBVIWGYXOMZ-UHFFFAOYSA-N- Molecular formula
- C19H32N2O3
- Average molar mass
- 336.5 g/mol
- Monoisotopic mass
- 336.24129289
Names & identifiers
- Preferred name
- 2-Diethylaminoethyl 4-butylamino-2-ethoxybenzoate
- IUPAC
- 2-(diethylamino)ethyl 4-(butylamino)-2-ethoxybenzoate
- English name
- 4-(Butylamino)-2-ethoxybenzoic acid 2-(diethylamino)ethyl ester
- Molecular formula
- C19H32N2O3
- Molecular weight
- 336.47
Names & synonyms
WIN 3713BRN 21440702-Diethylaminoethyl 4-butylamino-2-ethoxybenzoateUNII-57T183531QBENZOIC ACID, 4-BUTYLAMINO-2-ETHOXY-, 2-(DIETHYLAMINO)ETHYL ESTER2-Diethylaminoethyl 4-butylamino-2-O-ethylsalicylat2-Ethoxy-4-butylaminobenzoesaeure diethylaminoethylester57T183531Q4-Butylamino-2-ethoxy-benzoic acid 2-(diethylamino)ethyl esterDTXSID002015154-14-00-02002 (Beilstein Handbook Reference)Benzoic acid, 4-(butylamino)-2-ethoxy-, 2-(diethylamino)ethyl ester
Show more names
GynodaWin-37132-(Diethylamino)ethyl=4-butylamino-2-ethoxybenzoate
RefChem:197750DTXCID3012400653352-75-32-(diethylamino)ethyl 4-(butylamino)-2-ethoxybenzoate4-(BUTYLAMINO)-2-ETHOXYBENZOIC ACID 2-(DIETHYLAMINO)ETHYL ESTERDB-324778Q27261521
Database identifiers
- CAS
53352-75-3
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- Boiling point
- 464.4 · 464.4±45.0 °C(Predicted)
- Density
- 1.03 · 1.030±0.06 g/cm3(Predicted)
- pka
- 9.19 · 9.19±0.25(Predicted)
- FDA UNII
- 57 T183531Q · 57T183531Q
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…