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Name |
L-Ornithine,N5-[(dimethylamino)iminomethyl]- |
EINECS | N/A |
CAS No. | 30315-93-6 | Density | 1.23 g/cm3 |
PSA | 102.44000 | LogP | 0.45540 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H18N4O2 | Boiling Point | 372.6 °C at 760 mmHg |
Molecular Weight | 202.257 | Flash Point | 179.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(2S)-2-Amino-5-(N',N'-dimethylcarbamimidamido)pentanoic acid; |
Article Data | 3 |
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