ChemSpider 2D Image | N-[(6-Methoxy-3-pyridazinyl)methyl]-N-methyl-L-valinamide | C12H20N4O2

N-[(6-Methoxy-3-pyridazinyl)methyl]-N-methyl-L-valinamide

  • Molecular FormulaC12H20N4O2
  • Average mass252.313 Da
  • Monoisotopic mass252.158630 Da
  • ChemSpider ID28302491
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Butanamide, 2-amino-N-[(6-methoxy-3-pyridazinyl)methyl]-N,3-dimethyl-, (2S)- [ACD/Index Name]
N-[(6-Methoxy-3-pyridazinyl)methyl]-N-methyl-L-valinamid [German] [ACD/IUPAC Name]
N-[(6-Methoxy-3-pyridazinyl)methyl]-N-methyl-L-valinamide [ACD/IUPAC Name]
N-[(6-Méthoxy-3-pyridazinyl)méthyl]-N-méthyl-L-valinamide [French] [ACD/IUPAC Name]
(S)-2-Amino-N-((6-methoxypyridazin-3-yl)methyl)-N,3-dimethylbutanamide
(S)-2-Amino-N-(6-methoxypyridazin-3-ylmethyl)-3,N-dimethylbutyramide
(S)-2-Amino-N-(6-methoxypyridazin-3-ylmethyl)-3,N-dimethyl-butyramide
(S)-2-Amino-N-(6-methoxy-pyridazin-3-ylmethyl)-3,N-dimethyl-butyramide
1354020-70-4 [RN]
MFCD21097639

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

Density: 1.1±0.1 g/cm3
Boiling Point: 452.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.2±3.0 kJ/mol
Flash Point: 227.6±28.7 °C
Index of Refraction: 1.528
Molar Refractivity: 69.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.58
ACD/LogD (pH 5.5): -2.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.61
Polar Surface Area: 81 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 224.0±3.0 cm3

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