Please login to be able to add spectra, identifiers, links and publications.
  • Comments
  • Add:
Inherent Properties, Identifiers and References
ChemSpider ID: 84465
Empirical Formula: C7H16ClNO6
Molecular Weight: 245.658
Nominal Mass: 245 Da
Average Mass: 245.658 Da
Monoisotopic Mass: 245.066615 Da
Quick Links: Permalink Similar Isomers
Systematic Name: 2-acetoxyethyl-trimethyl-ammonium perchlorate
SMILES: O=C(OCC[N+](C)(C)C)C.[O-]Cl(=O)(=O)=O
InChI: InChI=1/C7H16NO2.ClHO4/c1-7(9)10-6-5-8(2,3)4;2-1(3,4)5/h5-6H2,1-4​H3;(H,2,3,4,5)/q+1;/p-1
InChIKey: SHIQLFRCVFUYEK-REWHXWOFAF
Associated Data Sources and Commercial Suppliers Filter
Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

213-166-6 [EINECS/ELINCS]

927-86-6 [RN]

(2-acetox​yethyl)tr​imethylam​monium pe​rchlorate

Acetylcho​line perc​hlorate

ACh

Ethanamin​ium, 2-(a​cetyloxy)​-N,N,N-tr​imethyl-,​ perchlor​ate

Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

(Details...) Predicted Properties
LogP: ACD/LogP: -3.90
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): -3.9 ACD/LogD (pH 7.4): -3.9
ACD/BCF (pH 5.5): 1 ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1 ACD/KOC (pH 7.4): 1
#H bond acceptors: 3 #H bond donors: 0
#Freely Rotating Bonds: 4 Polar Surface Area: 26.3 Å2
Index of Refraction: Molar Refractivity: cm3
Molar Volume: cm3 Polarizability: 10-24cm3
Surface Tension: dyne/cm Density: g/cm3
Flash Point: °C Enthalpy of Vaporization: kJ/mol
Boiling Point: °C at 760 mmHg Vapour Pressure: mmHg at 25°C