Product Name

  • Name

    Ornithine, 2-methyl- (9CI)

  • EINECS
  • CAS No. 48047-94-5
  • Article Data5
  • CAS DataBase
  • Density 1.127 g/cm3
  • Solubility
  • Melting Point
  • Formula C6H14N2O2
  • Boiling Point 303.7 °C at 760 mmHg
  • Molecular Weight 146.19
  • Flash Point 137.5 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 48047-94-5 (Ornithine, 2-methyl- (9CI))
  • Hazard Symbols
  • Synonyms 2-Methylornithine;2,5-Diamino-2-methylpentanoic acid;
  • PSA 89.34000
  • LogP 0.92790

Ornithine, 2-methyl Specification

The Ornithine, 2-methyl, with the CAS registry number 48047-94-5, is also known as 2-Methylornithine. It belongs to the product category of Glycinescaffold. This chemical's molecular formula is C6H14N2O2 and molecular weight is 146.19. What's more, its IUPAC name is 2,5-Diamino-2-methylpentanoic acid. Its classification codes is Antineoplastic agents.

Physical properties of Ornithine, 2-methyl are: (1)ACD/LogP: -0.61; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.11; (4)ACD/LogD (pH 7.4): -3.93; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 38.44 cm3; (15)Molar Volume: 129.6 cm3; (16)Polarizability: 15.24×10-24 cm3; (17)Surface Tension: 50.6 dyne/cm; (18)Density: 1.127 g/cm3; (19)Flash Point: 137.5 °C; (20)Enthalpy of Vaporization: 59.84 kJ/mol; (21)Boiling Point: 303.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000211 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(CCCN)(C(=O)O)N
(2)InChI: InChI=1S/C6H14N2O2/c1-6(8,5(9)10)3-2-4-7/h2-4,7-8H2,1H3,(H,9,10)
(3)InChIKey: LNDPCYHWPSQBCA-UHFFFAOYSA-N

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