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Search term: CCCNCC(P(O)(O)=O)P(O)(O)=O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | [2-(Propylamino)-1,1-ethanediyl]bis(phosphonic acid) | C5H15NO6P2

[2-(Propylamino)-1,1-ethanediyl]bis(phosphonic acid)

  • Molecular FormulaC5H15NO6P2
  • Average mass247.123 Da
  • Monoisotopic mass247.037460 Da
  • ChemSpider ID13976160

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[2-(Propylamino)-1,1-ethandiyl]bis(phosphonsäure) [German] [ACD/IUPAC Name]
[2-(Propylamino)-1,1-ethanediyl]bis(phosphonic acid) [ACD/IUPAC Name]
[2-(propylamino)ethane-1,1-diyl]bis(phosphonic acid)
Acide [2-(propylamino)-1,1-éthanediyl]bis(phosphonique) [French] [ACD/IUPAC Name]
Phosphonic acid, [2-(propylamino)ethylidene]bis- [ACD/Index Name]
0M9
1-[(prop-1-ylamino)ethyl]-1,1-bisphosphonic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL408745/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 549.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 90.7±6.0 kJ/mol
Flash Point: 286.4±32.9 °C
Index of Refraction: 1.526
Molar Refractivity: 48.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -2.73
ACD/LogD (pH 5.5): -6.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 147 Å2
Polarizability: 19.3±0.5 10-24cm3
Surface Tension: 75.6±3.0 dyne/cm
Molar Volume: 158.6±3.0 cm3

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