ChemSpider 2D Image | 3-[({(1S)-6-[Methyl(phenyl)amino]-1,2,3,4-tetrahydro-1-naphthalenyl}methyl)amino]isonicotinic acid | C24H25N3O2

3-[({(1S)-6-[Methyl(phenyl)amino]-1,2,3,4-tetrahydro-1-naphthalenyl}methyl)amino]isonicotinic acid

  • Molecular FormulaC24H25N3O2
  • Average mass387.474 Da
  • Monoisotopic mass387.194672 Da
  • ChemSpider ID128926678

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-[({(1S)-6-[Methyl(phenyl)amino]-1,2,3,4-tetrahydro-1-naphthalenyl}methyl)amino]isonicotinic acid [ACD/IUPAC Name]
3-[({(1S)-6-[Methyl(phenyl)amino]-1,2,3,4-tetrahydro-1-naphthalinyl}methyl)amino]isonicotinsäure [German] [ACD/IUPAC Name]
4-Pyridinecarboxylic acid, 3-[[[(1S)-1,2,3,4-tetrahydro-6-(methylphenylamino)-1-naphthalenyl]methyl]amino]- [ACD/Index Name]
Acide 3-[({(1S)-6-[méthyl(phényl)amino]-1,2,3,4-tétrahydro-1-naphtalényl}méthyl)amino]isonicotinique [French] [ACD/IUPAC Name]
1851373-36-8 [RN]
3-[[[(1R)-1,2,3,4-Tetrahydro-6-(methylphenylamino)-1-naphthalenyl]methyl]amino]-4-PyridinecarboxylicAcid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 681.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.0±3.0 kJ/mol
Flash Point: 366.0±31.5 °C
Index of Refraction: 1.667
Molar Refractivity: 116.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.53
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 47.63
ACD/KOC (pH 5.5): 124.72
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 7.05
ACD/KOC (pH 7.4): 18.47
Polar Surface Area: 65 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 311.5±3.0 cm3

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