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Search term: NXQKMWGCRMQRSS-ZDUSSCGKSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-({[(1R)-6-Methoxy-1,2,3,4-tetrahydro-1-naphthalenyl]methyl}amino)isonicotinic acid | C18H20N2O3

3-({[(1R)-6-Methoxy-1,2,3,4-tetrahydro-1-naphthalenyl]methyl}amino)isonicotinic acid

  • Molecular FormulaC18H20N2O3
  • Average mass312.363 Da
  • Monoisotopic mass312.147400 Da
  • ChemSpider ID61709054

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-({[(1R)-6-Methoxy-1,2,3,4-tetrahydro-1-naphthalenyl]methyl}amino)isonicotinic acid [ACD/IUPAC Name]
3-({[(1R)-6-Methoxy-1,2,3,4-tetrahydro-1-naphthalinyl]methyl}amino)isonicotinsäure [German] [ACD/IUPAC Name]
4-Pyridinecarboxylic acid, 3-[[[(1R)-1,2,3,4-tetrahydro-6-methoxy-1-naphthalenyl]methyl]amino]- [ACD/Index Name]
Acide 3-({[(1R)-6-méthoxy-1,2,3,4-tétrahydro-1-naphtalényl]méthyl}amino)isonicotinique [French] [ACD/IUPAC Name]
3-({[(1r)-6-Methoxy-1,2,3,4-Tetrahydronaphthalen-1-Yl]methyl}amino)pyridine-4-Carboxylic Acid
9FJ

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

Density: 1.2±0.1 g/cm3
Boiling Point: 596.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 314.6±30.1 °C
Index of Refraction: 1.624
Molar Refractivity: 88.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 7.50
ACD/KOC (pH 5.5): 33.20
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 1.11
ACD/KOC (pH 7.4): 4.93
Polar Surface Area: 71 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 250.9±3.0 cm3

Click to predict properties on the Chemicalize site


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