ChemSpider 2D Image | nitensidine E | C11H19N3

nitensidine E

  • Molecular FormulaC11H19N3
  • Average mass193.289 Da
  • Monoisotopic mass193.157898 Da
  • ChemSpider ID24626531

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Pyrimidinamine, 1,4,5,6-tetrahydro-6-methyl-6-[(1E)-4-methyl-1,3-pentadien-1-yl]- [ACD/Index Name]
4-Methyl-4-[(1E)-4-methyl-1,3-pentadien-1-yl]-1,4,5,6-tetrahydro-2-pyrimidinamin [German] [ACD/IUPAC Name]
4-Methyl-4-[(1E)-4-methyl-1,3-pentadien-1-yl]-1,4,5,6-tetrahydro-2-pyrimidinamine [ACD/IUPAC Name]
4-Méthyl-4-[(1E)-4-méthyl-1,3-pentadién-1-yl]-1,4,5,6-tétrahydro-2-pyrimidinamine [French] [ACD/IUPAC Name]
nitensidine E
2089469-12-3 [RN]
6-methyl-6-[(1E)-4-methylpenta-1,3-dien-1-yl]-1,4,5,6-tetrahydropyrimidin-2-amine
  • Miscellaneous

    • Chemical Class:

      An alkaloid that is 1,4,5,6-tetrahydropyrimidine substituted by an amino group at position 2 and by a methyl group and a 4-methylpenta-1,3-dien-1-yl group at position 6. Isolated from the leaves of <i tal>Pterogyne nitens</ital>, it exhibits cytotoxicity against a panel of human cancer cell lines. ChEBI CHEBI:66628
      An alkaloid that is 1,4,5,6-tetrahydropyrimidine substituted by an amino group at position 2 and by a methyl group and a 4-methylpenta-1,3-dien-1-yl group at position 6. Isolated from the leaves of Pt erogyne nitens, it exhibits cytotoxicity against a panel of human cancer cell lines. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66628, CHEBI:66628

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

Density: 1.0±0.1 g/cm3
Boiling Point: 302.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.3±3.0 kJ/mol
Flash Point: 136.9±28.7 °C
Index of Refraction: 1.530
Molar Refractivity: 58.7±0.5 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.58
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.54
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.54
Polar Surface Area: 50 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 35.3±7.0 dyne/cm
Molar Volume: 190.1±7.0 cm3

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