The Ng-monomethyl-l-arginine acetate, with CAS registry number 53308-83-1, belongs to the following product categories: (1)Amino Acids 13C, 2H, 15N; (2)Amino Acids & Derivatives; (3)Nitric Oxide Reagents; (4)Signalling. It has the systematic name of N5-(N'-methylcarbamimidoyl)-L-ornithine acetate (1:1). This chemical is a kind of white crystalline powder. And it should be stored at the temperature of 2-8°C. When use this chemical, do not breathe dust and avoid contact with skin and eyes.
Physical properties of Ng-monomethyl-l-arginine acetate: (1)ACD/LogP: -0.95; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.45; (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: 6; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 48.38 Å2; (13)Flash Point: 191.3 °C; (14)Enthalpy of Vaporization: 70.52 kJ/mol; (15)Boiling Point: 392.7 °C at 760 mmHg; (16)Vapour Pressure: 2.92E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C.O=C(O)[C@@H](N)CCCN/C(=N/C)N
(2)InChI: InChI=1/C7H16N4O2.C2H4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13;1-2(3)4/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11);1H3,(H,3,4)/t5-;/m0./s1
(3)InChIKey: IKPNWIGTWUZCKM-JEDNCBNOBD
(4)Std. InChI: InChI=1S/C7H16N4O2.C2H4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13;1-2(3)4/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11);1H3,(H,3,4)/t5-;/m0./s1
(5)Std. InChIKey: IKPNWIGTWUZCKM-JEDNCBNOSA-N
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