Phenacaine
Basic information
- CAS
101-93-9- Standard SMILES
CCOc1ccc(N=C(C)Nc2ccc(OCC)cc2)cc1- InChIKey
QXDAEKSDNVPFJG-UHFFFAOYSA-N- Molecular formula
- C18H22N2O2
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.16812795
Overview
Phenacaine is an aromatic ether.
Names & identifiers
- Preferred name
- Phenacaine
- IUPAC
- N,N'-bis(4-ethoxyphenyl)ethanimidamide
- English name
- HOLOCALIN(P)
- Molecular formula
- C18H22N2O2
- Molecular weight
- 298.38
Names & synonyms
PhenacaineFenacaineHolocaineTanicaineN,N'-Bis(4-ethoxyphenyl)ethanimidamide101-93-9Phenacaine [INN]FenacainaN,N'-Bis(p-ethoxyphenyl)acetamidinePhenacainumFenacaina [INN-Spanish]Phenacainum [INN-Latin]
Show more names
HOLOCALIN(P)N,N-bis(4-ethoxyphenyl)acetamidinen,n’-bis(p-ethoxyphenyl)acetamidinen,n’-bis(p-ethoxyphenyl)-acetamidin
HalocaineACETAMIDINE, N,N'-BIS(p-ETHOXYPHENYL)-N',N(sup 2)-Bis(p-ethoxyphenyl)acetamidineUNII-V3M4D317W8BRN 2702842Ethanimidamide, N,N'-bis(4-ethoxyphenyl)-V3M4D317W8PHENACAINE [WHO-DD]
Database identifiers
- CAS
101-93-9- PubChem CID
- 7588
- DTXSID
DTXSID0046062- ChEMBL
CHEMBL127123- ChEBI
CHEBI:135260- UNII
- V3M4D317W8
- EC Number
- 104-546-1
- Nikkaji
- J13.823A
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Melting point
- 117 °C · 117°C
- Boiling point
- 439.8 °C · 439.8°C (rough estimate)
- Density
- 1.1301 · 1.1301 (rough estimate)
- refractive index
- 1.535 · 1.5350 (estimate)
- pka
- 9.95 · 9.95±0.50(Predicted)
- FDA UNII
- 3 M4D317W8 · V3M4D317W8
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Phenacaine is an aromatic ether.
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