ChemSpider 2D Image | 3-({[Bis(carboxymethyl)amino]acetyl}amino)benzoic acid | C13H14N2O7

3-({[Bis(carboxymethyl)amino]acetyl}amino)benzoic acid

  • Molecular FormulaC13H14N2O7
  • Average mass310.259 Da
  • Monoisotopic mass310.080109 Da
  • ChemSpider ID28695010

More details:

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

3-({[Bis(carboxymethyl)amino]acetyl}amino)benzoesäure [German] [ACD/IUPAC Name]
3-({[Bis(carboxymethyl)amino]acetyl}amino)benzoic acid [ACD/IUPAC Name]
Acide 3-({2-[bis(carboxyméthyl)amino]acétyl}amino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[2-[bis(carboxymethyl)amino]acetyl]amino]- [ACD/Index Name]
2,2'-((2-((3-Carboxyphenyl)amino)-2-oxoethyl)azanediyl)diacetic acid
3-{2-[Bis(carboxymethyl)amino]acetamido}benzoic acid
88949-69-3 [RN]
BENZOIC ACID, 3-[[[BIS(CARBOXYMETHYL)AMINO]ACETYL]AMINO]-

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

Density: 1.6±0.1 g/cm3
Boiling Point: 697.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 375.4±31.5 °C
Index of Refraction: 1.659
Molar Refractivity: 72.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.71
ACD/LogD (pH 5.5): -4.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 85.9±3.0 dyne/cm
Molar Volume: 197.6±3.0 cm3

Click to predict properties on the Chemicalize site


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