ChemSpider 2D Image | 2,2',2'',2'''-(6-{4-[(Bromoacetyl)amino]benzyl}-1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetrayl)tetraacetic acid | C27H40BrN5O9

2,2',2'',2'''-(6-{4-[(Bromoacetyl)amino]benzyl}-1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetrayl)tetraacetic acid

  • Molecular FormulaC27H40BrN5O9
  • Average mass658.539 Da
  • Monoisotopic mass657.200928 Da
  • ChemSpider ID114655

More details:

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

1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetraacetic acid, 6-[[4-[(2-bromoacetyl)amino]phenyl]methyl]- [ACD/Index Name]
2,2',2'',2'''-(6-{4-[(Bromacetyl)amino]benzyl}-1,4,8,11-tetraazacyclotetradecan-1,4,8,11-tetrayl)tetraessigsäure [German] [ACD/IUPAC Name]
2,2',2'',2'''-(6-{4-[(Bromoacetyl)amino]benzyl}-1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetrayl)tetraacetic acid [ACD/IUPAC Name]
Acide 2,2',2'',2'''-(6-{4-[(2-bromoacétyl)amino]benzyl}-1,4,8,11-tétraazacyclotétradécane-1,4,8,11-tétrayl)tetraacétique [French] [ACD/IUPAC Name]
1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetraacetic acid, 6-((4-((bromoacetyl)amino)phenyl)methyl)-
121697-38-9 [RN]
6-(4-(Bromoacetamido)benzyl)-1,4,8,11-tetraazacyclotetradecane-N,N',N'',N'''-tetracetic acid
6-(4-Bromoacetamidobenzyl)-1,4,8,11-tetraazacyclotetradecane-N,N',N'',N'''-tetraacetic acid
6-(4-BROMOACETAMIDOBENZYL)-1,4,8,11-TETRAAZACYCLOTETRADECANE-N,N',N',N'-TETRAACETIC ACID
6-BAT
More...

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

Density: 1.4±0.1 g/cm3
Boiling Point: 891.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.7±3.0 kJ/mol
Flash Point: 492.7±34.3 °C
Index of Refraction: 1.580
Molar Refractivity: 155.1±0.3 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.24
ACD/LogD (pH 5.5): -3.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 191 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 59.1±3.0 dyne/cm
Molar Volume: 466.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement