Product Name

  • Name

    N,N-dimethylarginine

  • EINECS
  • CAS No. 30315-93-6
  • Article Data3
  • CAS DataBase
  • Density 1.23 g/cm3
  • Solubility
  • Melting Point
  • Formula C8H18N4O2
  • Boiling Point 372.6 °C at 760 mmHg
  • Molecular Weight 202.257
  • Flash Point 179.1 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 30315-93-6 (N,N-dimethylarginine)
  • Hazard Symbols
  • Synonyms (2S)-2-Amino-5-(N',N'-dimethylcarbamimidamido)pentanoic acid;
  • PSA 102.44000
  • LogP 0.45540

L-Ornithine,N5-[(dimethylamino)iminomethyl]- Specification

The L-Ornithine,N5-[(dimethylamino)iminomethyl]-, with the CAS registry number of 30315-93-6, is also known as (2S)-2-Amino-5-(N',N'-dimethylcarbamimidamido)pentanoic acid. Its molecular formula is C8H18N4O2 and molecular weight is 202.254120. What's more, its IUPAC name is (2S)-2-Amino-5-[[amino(dimethylamino)methylidene]amino]pentanoic acid. This chemical's classification code is Enzyme inhibitors. Besides, it is asymmetric dimethylarginine.

Physical properties about the L-Ornithine,N5-[(dimethylamino)iminomethyl]- are: (1)ACD/LogP: -0.99; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.49; (4)ACD/LogD (pH 7.4): -4.44; (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: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 48.38 Å2; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 51.58 cm3; (15)Molar Volume: 163.2 cm3; (16)Surface Tension: 47 dyne/cm; (17)Density: 1.23 g/cm3; (18)Flash Point: 179.1 °C; (19)Enthalpy of Vaporization: 68.05 kJ/mol; (20)Boiling Point: 372.6 °C at 760 mmHg; (21)Vapour Pressure: 1.42E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@H](N)CCC/N=C(\N)N(C)C
(2) InChI: InChI=1/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1
(3) InChIKey: YDGMGEXADBMOMJ-LURJTMIEBT

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