Basic information
- CAS
2188-67-2- Standard SMILES
CCCCCNCCOC(=O)c1ccc(N)cc1- InChIKey
UYXHCVFXDBNRQW-UHFFFAOYSA-N- Molecular formula
- C14H22N2O2
- Average molar mass
- 250.34 g/mol
- Monoisotopic mass
- 250.16812795
Overview
Naepaine is a benzoate ester.
Names & identifiers
- Preferred name
- Naepaine
- IUPAC
- 2-(pentylamino)ethyl 4-aminobenzoate
- English name
- 2-(pentylamino)ethyl 4-aminobenzoate
- Molecular formula
- C14H22N2O2
- Molecular weight
- 250.34
Names & synonyms
NaepaineAmylsineAmalcaineAmylcaineAmylcainNaopaine2-(pentylamino)ethyl 4-aminobenzoateAmylsin2188-67-2Naepaine base2-n-Amylaminoethyl p-aminobenzoate2-n-Pentylaminoethyl p-aminobenzoate
Show more names
Pentycaine2-(Pentylamino)ethyl=p-aminobenzoate2-(pentylamino)ethyl 4-azanylbenzoate4-Aminobenzoic acid 2-pentylaminoethyl ester4-aminobenzoic acid 2-(amylamino)ethyl esterEthanol, 2-(pentylamino)-, 1-(4-aminobenzoate)
NSC-41534p-Aminobenzoic acid 2-n-amylaminoethyl esterNAEPAINE [MI]p-Aminobenzoic acid 2-n-pentylaminoethyl ester2-(Pentylamino)ethanol 4-aminobenzoate (ester)NSC 41534J1Z219971CBRN 2808234
Database identifiers
- CAS
2188-67-2- PubChem CID
- 11964
- DTXSID
DTXSID70176281- ChEMBL
CHEMBL2110915- ChEBI
CHEBI:135021- UNII
- J1Z219971C
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Melting point
- 66 ° · 66°
- Boiling point
- 393.47 °C · 393.47°C (rough estimate)
- Density
- 1.039 · 1.0390 (rough estimate)
- refractive index
- 1.511 · 1.5110 (estimate)
- pka
- 9.22 · 9.22±0.19(Predicted)
- form
- A solid
- FDA UNII
- 1 Z219971C · J1Z219971C
- Toxicity
- 350 mg/kg · LDLo scu-mus: 350 mg/kg JPETAB 62,69,38
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
- Toxicity
- LDLo scu-mus: 350 mg/kg JPETAB 62,69,38
Chemistry & industry
Additional notes
DefinitionChEBI: Naepaine is a benzoate ester.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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