2-(Diethylamino)ethyl 4-(2-(octyloxy)benzamido)benzoate
Basic information
- CAS
26090-29-9- Standard SMILES
CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCCN(CC)CC)cc1- InChIKey
QOTIDDHANGFPGH-UHFFFAOYSA-N- Molecular formula
- C28H40N2O4
- Average molar mass
- 468.6 g/mol
- Monoisotopic mass
- 468.29880776
Names & identifiers
- Preferred name
- 2-(Diethylamino)ethyl 4-(2-(octyloxy)benzamido)benzoate
- IUPAC
- 2-(diethylamino)ethyl 4-[(2-octoxybenzoyl)amino]benzoate
- English name
- N-Diethylaminoethyl-p-[2-(-N-octyloxy)-benzoyl]aminobenzoate
- Molecular formula
- C28H40N2O4
- Molecular weight
- 468.63
Names & synonyms
2-(Diethylamino)ethyl 4-(2-(octyloxy)benzamido)benzoateEC 692-852-02-(DIETHYLAMINO)ETHYL 4-[2-(OCTYLOXY)BENZAMIDO]BENZOATERefChem:460576692-852-026090-29-9N-Diethylaminoethyl-p-[2-(-n-octyloxy)-benzoyl]aminobenzoateOtilonium Bromide ITS-12-(diethylamino)ethyl 4-[(2-octoxybenzoyl)amino]benzoatep-[[2-(Octyloxy)benzoyl]amino]benzoic Acid 2-(Diethylamino)ethyl EsterProcaine Impurity 1Otilonium Bromide Impurity 7
Show more names
RMA02494Otilonium Bromide ImpurityN-desmethyl Octylonium BromideOtilonium bromide intermediatesOtilonium Bromide Impurity 1 (Procaine Impurity 3)Asparagine Impurity 12 Hydrate (D-Asparagine Hydrate)Otilonium Bromide ITS-1,Otilonium Bromide intermediate2-(Diethylamino)ethyl 4-{[2-(octyloxy)benzoyl]amino}benzoate
SCHEMBL27919474DTXSID702754204-[[2-(Octyloxy)benzoyl]amino]benzoic Acid 2-(Diethylamino)ethyl EsterAKOS015999663FD21830NS000071512-(Diethylamino)ethyl4-(2-(octyloxy)benzamido)benzoatep-[[2-(Octyloxy)benzoyl]amino]benzoic acid 2-(diethylamino)et hyl ester
Database identifiers
- CAS
26090-29-9- PubChem CID
- 40012
- DTXSID
DTXSID70275420- EC Number
- 692-852-0
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 17
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 559
Physicochemical properties
- Melting point
- 41 · 41-42°C
- Boiling point
- 540.9 · 540.9±45.0 °C(Predicted)
- Density
- 1.075 · 1.075±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 13.06 · 13.06±0.70(Predicted)
- color
- Light Yellow to Pale Green
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 2-(diethylamino)ethyl 4-(2-(octyloxy)benzamido)benzoate (EC: 692-852-0)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Hazard statements
- H302
- REACH Registrations
- Active
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesN-Diethylaminoethyl-p-[2-(-n-octyloxy)-benzoyl]aminobenzoate (cas# 26090-29-9) is a derivative of Otilonium Bromide.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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