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17692-39-6

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Basic Information
CAS No.: 17692-39-6
Name: Fomocaine
Article Data: 3
Molecular Structure:
Molecular Structure of 17692-39-6 (Fomocaine)
Formula: C20H25 N O2
Molecular Weight: 311.424
Synonyms: Morpholine,4-[3-(a-phenoxy-p-tolyl)propyl]-(6CI,8CI); 4-[3-[4-(phenoxymethyl)phenyl]propyl]morpholine; Erbocain; Fomocain;Fomocaine; P 652; Panacain; p-Fomocaine
Density: 1.081g/cm3
Melting Point: 52-53°
Boiling Point: 469°C at 760 mmHg
Flash Point: 153.5°C
Safety: Poison by intravenous and intraperitoneal routes. Moderately toxic by subcutaneous route. When heated to decomposition it emits toxic fumes of NOx.
PSA: 21.70000
LogP: 3.46830
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    Morpholine,4-[3-[4-(phenoxymethyl)phenyl]propyl]-

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Chemistry

Product Name: Fomocaine (CAS NO.17692-39-6)


Molecular Formula: C20H25NO2
Molecular Weight: 311.46g/mol
Mol File: 17692-39-6.mol
Boiling point: 469 °C at 760 mmHg
Flash Point: 153.5 °C
Density: 1.081 g/cm3
Surface Tension: 42.1 dyne/cm
Enthalpy of Vaporization: 73.13 kJ/mol
Vapour Pressure: 5.7E-09 mmHg at 25°C
XLogP3-AA: 3.6
H-Bond Donor: 0
H-Bond Acceptor: 3
Structure Descriptors of Fomocaine (CAS NO.17692-39-6):
  IUPAC Name: 4-[3-[4-(Phenoxymethyl)phenyl]propyl]morpholine
  Canonical SMILES: C1COCCN1CCCC2=CC=C(C=C2)COC3=CC=CC=C3
  InChI: InChI=1S/C20H25NO2/c1-2-6-20(7-3-1)23-17-19-10-8-18(9-11-19)5-4-12-21-13-15-22-16-14-21/h1-3,6-11H,4-5,12-17H2 
  InChIKey: CVHGCWVMTZWGAY-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

ivn-rat LD50:140 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 8 (1958),539.
2.    

ipr-mus LD50:325 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 8 (1958),539.
3.    

scu-mus LD50:1300 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 8 (1958),539.
4.    

ivn-mus LD50:110 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 8 (1958),539.

Safety Profile

Poison by intravenous and intraperitoneal routes. Moderately toxic by subcutaneous route. When heated to decomposition it emits toxic fumes of NOx.

Specification

 Fomocaine , its CAS NO. is 17692-39-6, the synonyms are 4-(3-(alpha-Phenoxy-p-tolyl)propyl)morpholine ; Fomocainum ; UNII-4XO7A09HQM .