Basic information
- CAS
10367-88-1- Standard SMILES
CCN(CC)CCOC(=O)c1cccc(C)c1- InChIKey
NHHMPVPZDJSKJU-UHFFFAOYSA-N- Molecular formula
- C14H21NO2
- Average molar mass
- 235.32 g/mol
- Monoisotopic mass
- 235.15722891
Names & identifiers
- Preferred name
- 2-(Diethylamino)ethyl 3-methylbenzoate
- IUPAC
- 2-(diethylamino)ethyl 3-methylbenzoate
- English name
- 3-Methyl-benzoic acid, 2-diethylaminoethyl ester
- Molecular formula
- C14H21NO2
- Molecular weight
- 235.32
Names & synonyms
2-(Diethylamino)ethyl 3-methylbenzoate10367-88-1DTXSID00276905RefChem:253741DTXCID402028243-Methyl-benzoic acid, 2-diethylaminoethyl ester3DY8A9TN4PNHHMPVPZDJSKJU-UHFFFAOYSA-N2-(Diethylamino)ethyl 3-methylbenzoate #m-Toluic acid, 2-(diethylamino)ethyl esterBenzoic acid, 3-methyl-, 2-(diethylamino)ethyl ester
Database identifiers
- CAS
10367-88-1- PubChem CID
- 215968
- DTXSID
DTXSID00276905- UNII
- 3DY8A9TN4P
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Boiling point
- 328.7 · 328.7±25.0 °C(Predicted)
- Density
- 1.008 · 1.008±0.06 g/cm3(Predicted)
- pka
- 9.2 · 9.20±0.25(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…