Basic information
- CAS
10369-94-5- Standard SMILES
CCN(CC)CCOC(=O)c1cccc(N)c1- InChIKey
MJBPJVLUWNYUHH-UHFFFAOYSA-N- Molecular formula
- C13H20N2O2
- Average molar mass
- 236.31 g/mol
- Monoisotopic mass
- 236.15247789
Names & identifiers
- Preferred name
- 2-(Diethylamino)ethyl 3-aminobenzoate
- IUPAC
- 2-(diethylamino)ethyl 3-aminobenzoate
- English name
- 2-(Diethylamino)ethyl 3-Aminobenzoate
- Molecular formula
- C13H20N2O2
- Molecular weight
- 236.31
Names & synonyms
2-(Diethylamino)ethyl 3-aminobenzoate10369-94-53-Aminobenzoic acid, 2-diethylaminoethyl esterSCHEMBL9576595MJBPJVLUWNYUHH-UHFFFAOYSA-NKAA369942-(Diethylamino)ethyl3-aminobenzoateAKOS0105760882-(Diethylamino)ethyl 3-aminobenzoate #EN300-206670Benzoic acid, 3-amino-, 2-(diethylamino)ethyl ester
Database identifiers
- CAS
10369-94-5- PubChem CID
- 412083
- EC Number
- 192-307-2
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 373.6 · 373.6±22.0 °C(Predicted)
- Density
- 1.077 · 1.077±0.06 g/cm3(Predicted)
- pka
- 9.2 · 9.20±0.25(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
Toronto Research Chemicals Inc.[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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