ChemSpider 2D Image | 2-[Bis(carboxymethyl)amino]-4-phosphonobutanoic acid | C8H14NO9P

2-[Bis(carboxymethyl)amino]-4-phosphonobutanoic acid

  • Molecular FormulaC8H14NO9P
  • Average mass299.172 Da
  • Monoisotopic mass299.040619 Da
  • ChemSpider ID59760015

More details:

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

2-[Bis(carboxymethyl)amino]-4-phosphonobutanoic acid [ACD/IUPAC Name]
2-[Bis(carboxymethyl)amino]-4-phosphonobutansäure [German] [ACD/IUPAC Name]
Acide 2-[bis(carboxyméthyl)amino]-4-phosphonobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-[bis(carboxymethyl)amino]-4-phosphono- [ACD/Index Name]
1536463-76-9 [RN]
2-[bis(carboxymethyl)amino]-4-phosphono-butanoic acid
2-N,N-bis(carboxymethyl)amino-4-phosphonobutanoic acid

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

Density: 1.7±0.1 g/cm3
Boiling Point: 714.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 113.7±6.0 kJ/mol
Flash Point: 385.8±35.7 °C
Index of Refraction: 1.585
Molar Refractivity: 57.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -3.13
ACD/LogD (pH 5.5): -8.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 182 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 102.2±3.0 dyne/cm
Molar Volume: 171.3±3.0 cm3

Click to predict properties on the Chemicalize site


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