ChemSpider 2D Image | 1-(6-Amino-4-pyrimidinyl)-4-[(2-methoxyethyl)carbamoyl]-1,4-diazepane-6-carboxylic acid | C14H22N6O4

1-(6-Amino-4-pyrimidinyl)-4-[(2-methoxyethyl)carbamoyl]-1,4-diazepane-6-carboxylic acid

  • Molecular FormulaC14H22N6O4
  • Average mass338.362 Da
  • Monoisotopic mass338.170258 Da
  • ChemSpider ID30930497

More details:

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

1-(6-Amino-4-pyrimidinyl)-4-[(2-methoxyethyl)carbamoyl]-1,4-diazepan-6-carbonsäure [German] [ACD/IUPAC Name]
1-(6-Amino-4-pyrimidinyl)-4-[(2-methoxyethyl)carbamoyl]-1,4-diazepane-6-carboxylic acid [ACD/IUPAC Name]
1H-1,4-Diazepine-6-carboxylic acid, 1-(6-amino-4-pyrimidinyl)hexahydro-4-[[(2-methoxyethyl)amino]carbonyl]- [ACD/Index Name]
Acide 1-(6-amino-4-pyrimidinyl)-4-[(2-méthoxyéthyl)carbamoyl]-1,4-diazépane-6-carboxylique [French] [ACD/IUPAC Name]
1-(6-aminopyrimidin-4-yl)-4-{[(2-methoxyethyl)amino]carbonyl}-1,4-diazepane-6-carboxylic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 714.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.7±3.0 kJ/mol
Flash Point: 386.1±32.9 °C
Index of Refraction: 1.593
Molar Refractivity: 85.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.04
ACD/LogD (pH 5.5): -3.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 68.0±3.0 dyne/cm
Molar Volume: 250.9±3.0 cm3

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