Product Name

  • Name

    heptacaine

  • EINECS
  • CAS No. 55792-21-7
  • Density g/cm3
  • Solubility
  • Melting Point 118-121 °C(Solv: ethyl acetate (141-78-6))
  • Formula C21H34 N2 O3 . Cl H
  • Boiling Point 456.6°Cat760mmHg
  • Molecular Weight 398.974
  • Flash Point 230°C
  • Transport Information
  • Appearance
  • Safety Poison by intravenous and intraperitoneal routes. Moderately toxic by subcutaneous route. When heated to decomposition it emits very toxic fumes of NOx and HCl. See also CARBAMATES.
  • Risk Codes
  • Molecular Structure Molecular Structure of 55792-21-7 (heptacaine)
  • Hazard Symbols
  • Synonyms Carbamicacid, [2-(heptyloxy)phenyl]-, 2-(1-piperidinyl)ethyl ester, monohydrochloride(9CI); Heptacaine; Heptacaine chloride; Heptacaine hydrochloride; Heptacainiumchloride
  • PSA 54.29000
  • LogP 5.82370

Piperidinoethyl 2-heptoxyphenylcarbamoate hydrochloride Chemical Properties

IUPAC Name: 2-piperidin-1-ium-1-ylethyl N-(2-heptoxyphenyl)carbamate chloride 
Empirical Formula: C21H35ClN2O3
Molecular Weight: 398.9672g/mol
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 12
Tautomer Count: 2
Exact Mass: 398.233621
MonoIsotopic Mass: 398.233621
Topological Polar Surface Area: 52
Heavy Atom Count: 27
Formal Charge: 0
Complexity: 372
Flash Point: 230 °C
Enthalpy of Vaporization: 71.66 kJ/mol
Boiling Point: 456.6 °C at 760 mmHg
Vapour Pressure: 1.59E-08 mmHg at 25°C
Canonical SMILES: CCCCCCCOC1=CC=CC=C1NC(=O)OCC[NH+]2CCCCC2.[Cl-]
InChI: InChI=1S/C21H34N2O3.ClH/c1-2-3-4-5-11-17-25-20-13-8-7-12-19(20)22-21(24)26-18-16-23-14-9-6-10-15-23;/h7-8,12-13H,2-6,9-11,14-18H2,1H3,(H,22,24);1H
InChIKey: FPPCQURAUSZVBZ-UHFFFAOYSA-N
Structure of Piperidinoethyl 2-heptoxyphenylcarbamoate hydrochloride (CAS NO.55792-21-7):

Piperidinoethyl 2-heptoxyphenylcarbamoate hydrochloride Toxicity Data With Reference

1.    

ipr-mus LD50:150 mg/kg

     DRFUD4    Drugs of the Future. 4 (1979),489.
2.    

scu-mus LD50:500 mg/kg

     AFPCAG    Acta Facultatis Pharmaceuticae, Universitatis Comenianae. 29 (1976),53.
3.    

ivn-mus LD50:17,600 µg/kg

     AFPCAG    Acta Facultatis Pharmaceuticae, Universitatis Comenianae. 29 (1976),81.

Piperidinoethyl 2-heptoxyphenylcarbamoate hydrochloride Safety Profile

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

Piperidinoethyl 2-heptoxyphenylcarbamoate hydrochloride Specification

  Piperidinoethyl 2-heptoxyphenylcarbamoate hydrochloride , its cas register number is 55792-21-7. It also can be called (2-(Heptyloxy)phenyl)carbamic acid 2-(1-piperidinyl)ethyl ester hydrochloride ; 2-Heptyloxycarbanilic acid 2-(1-piperidinyl)ethyl ester hydrochloride ; CCRIS 3897 ; Heptacaine ; N-(2-(Heptyloxyphenylcarbamoyloxy)ethyl)piperidinium chloride .
 Piperidinoethyl 2-heptoxyphenylcarbamoate hydrochloride (CAS NO.55792-21-7) is moderate toxic by subcutaneous route. When heated to decomposition it emits very toxic fumes of NOx and HCl.

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