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Search term: XEFBERIFHPNXFP-UHFFFAOYAK
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Inherent Properties, Identifiers and References
ChemSpider ID: 4886537
Empirical Formula: C6H15CuNO3
Molecular Weight: 212.7337
Nominal Mass: 212 Da
Average Mass: 212.7337 Da
Monoisotopic Mass: 212.034246 Da
Systematic Name: cuprous 2-(bis(2-hydroxyethyl)amino)ethanol
SMILES: [Cu+].OCCN(CCO)CCO
InChI: InChI=1/C6H15NO3.Cu/c8-4-1-7(2-5-9)3-6-10;/h8-10H,1-6H2;/q;+1
InChIKey: XEFBERIFHPNXFP-UHFFFAOYAK
Std. InChI: InChI=1S/C6H15NO3.Cu/c8-4-1-7(2-5-9)3-6-10;/h8-10H,1-6H2;/q;+1
Std. InChIKey: XEFBERIFHPNXFP-UHFFFAOYSA-N
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Names and Synonyms

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

2,2',2''-​Nitrilotr​iethanol ​copper sa​lt

Copper tr​iethanola​mine

Copper tr​iethanola​mine comp​lex

Ethanol, ​2,2',2''-​nitrilotr​is-, copp​er complex

2,2',2''-​Nitrilotr​isethanol​, coppers​alt

250-459-8 [EINECS/ELINCS]

31089-39-1 [RN]

Ethanol, ​2,2',2''-​nitrilotr​i-, coppe​r salt

K-Lox

K-Pool

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(Details...) ACD/Labs Predicted Properties
ACD/LogP: -1.11 # of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): -3.39 ACD/LogD (pH 7.4): -1.69
ACD/BCF (pH 5.5): 1 ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1 ACD/KOC (pH 7.4): 1.57
#H bond acceptors: 4 #H bond donors: 3
#Freely Rotating Bonds: 9 Polar Surface Area: 30.93 Å2
Index of Refraction: Molar Refractivity: cm3
Molar Volume: cm3 Polarizability: 10-24cm3
Surface Tension: dyne/cm Density: g/cm3
Flash Point: 185 °C Enthalpy of Vaporization: 67.02 kJ/mol
Boiling Point: 335.4 °C at 760 mmHg Vapour Pressure: 8.38E-06 mmHg at 25°C