Basic information
- CAS
5656-83-7- Standard SMILES
CCN(CC)CCOC(=O)c1ccc(N)c2ccccc12- InChIKey
ZSYWYFNJKDJHKS-UHFFFAOYSA-N- Molecular formula
- C17H22N2O2
- Average molar mass
- 286.37 g/mol
- Monoisotopic mass
- 286.16812795
Names & identifiers
- Preferred name
- Naphthocaine
- IUPAC
- 2-(diethylamino)ethyl 4-aminonaphthalene-1-carboxylate
- English name
- 4-Amino-1-naphthalenecarboxylic acid 2-(diethylamino)ethyl ester
- Molecular formula
- C17H22N2O2
- Molecular weight
- 286.37
Names & synonyms
NaphthocaineNaphthacaineUNII-34SP0C39GS5656-83-734SP0C39GS2-diethylaminoethyl 4-aminonaphthalene-1-carboxylate1-Naphthoic acid, 4-amino-, 2-(diethylamino)ethyl ester1-Naphthalenecarboxylic acid, 4-amino-, 2-(diethylamino)ethyl esterDTXSID60205115RefChem:164747DTXCID601276062-(diethylamino)ethyl 4-aminonaphthalene-1-carboxylate
Show more names
SCHEMBL299012624-Amino-1-naphthalenecarboxylic acid 2-(diethylamino)ethyl esterQ27256390
Database identifiers
- CAS
5656-83-7- PubChem CID
- 11073
- DTXSID
DTXSID60205115- UNII
- 34SP0C39GS
- Nikkaji
- J8.044F
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- Boiling point
- 462.2 · 462.2±30.0 °C(Predicted)
- Density
- 1.129 · 1.129±0.06 g/cm3(Predicted)
- pka
- 9.18 · 9.18±0.25(Predicted)
- FDA UNII
- 34 SP0C39GS · 34SP0C39GS
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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