ChemSpider 2D Image | (3-Amino-2,2,3,4-tetrabutyl-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetic acid | C28H48N2O2

(3-Amino-2,2,3,4-tetrabutyl-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetic acid

  • Molecular FormulaC28H48N2O2
  • Average mass444.693 Da
  • Monoisotopic mass444.371582 Da
  • ChemSpider ID57318749

More details:






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

(3-Amino-2,2,3,4-tetrabutyl-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetic acid [ACD/IUPAC Name]
(3-Amino-2,2,3,4-tetrabutyl-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)essigsäure [German] [ACD/IUPAC Name]
1H-1-Benzazepine-1-acetic acid, 3-amino-2,2,3,4-tetrabutyl-2,3,4,5-tetrahydro- [ACD/Index Name]
Acide (3-amino-2,2,3,4-tétrabutyl-2,3,4,5-tétrahydro-1H-1-benzazépin-1-yl)acétique [French] [ACD/IUPAC Name]
(3-AMINO-2,2,3,4-TETRABUTYL-2,3,4,5-TETRAHYDRO-BENZO[B]AZEPIN-1-YL)ACETIC ACID

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 569.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 298.3±30.1 °C
Index of Refraction: 1.495
Molar Refractivity: 135.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 9.30
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 1193.98
ACD/KOC (pH 5.5): 1072.09
ACD/LogD (pH 7.4): 5.16
ACD/BCF (pH 7.4): 1223.26
ACD/KOC (pH 7.4): 1098.37
Polar Surface Area: 67 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 34.3±3.0 dyne/cm
Molar Volume: 464.0±3.0 cm3

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