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

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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 Molecular Structure of 30315-93-6 (N,N-dimethylarginine) Hazard Symbols N/A
Synonyms

(2S)-2-Amino-5-(N',N'-dimethylcarbamimidamido)pentanoic acid;

Article Data 3

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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