Bookmark and Share
1 hit(s) found in 0.18 seconds
Search term: HEUUEWZYZFBDIS-UHFFFAOYAV
Found by InChIKey (full match)
Please login to be able to add spectra, identifiers, links and publications.
  • Comments
  • Image
  • Spectrum
  • CIF
  • Identifier
  • Description
  • Add:
Inherent Properties, Identifiers and References
ChemSpider ID: 56087
Empirical Formula: C6H13CuNO3
Molecular Weight: 210.7183
Nominal Mass: 210 Da
Average Mass: 210.7183 Da
Monoisotopic Mass: 210.019144 Da
Systematic Name: copper 2-(2-hydroxyethyl-(2-oxidoethyl)amino)ethanolate
SMILES: [Cu+2].[O-]CCN(CC[O-])CCO
InChI: InChI=1/C6H13NO3.Cu/c8-4-1-7(2-5-9)3-6-10;/h8H,1-6H2;/q-2;+2
InChIKey: HEUUEWZYZFBDIS-UHFFFAOYAV
Std. InChI: InChI=1S/C6H13NO3.Cu/c8-4-1-7(2-5-9)3-6-10;/h8H,1-6H2;/q-2;+2
Std. InChIKey: HEUUEWZYZFBDIS-UHFFFAOYSA-N
Associated Data Sources and Commercial Suppliers Filter
Patents
PubMed Articles
Names and Synonyms

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

82027-59-6 [RN]

Copper, (​(2,2',2''​-nitrilot​ris(ethan​olato))(2​-)-N,O,O'​,O'')-

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: 52.93 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