TOS-ARG-OME HCL

The L-Arginine,N²-[(4-methylphenyl)sulfonyl]-, methyl ester, hydrochloride (1:1), with the CAS registry number 1784-03-8, is also known as Methyl N-[(p-tolyl)sulphonyl]-L-argininate monohydrochloride. It belongs to the product categories of Amino Acids; Arginine [Arg, R]; Amino Acids and Derivatives; Amino Hydrochloride. Its EINECS registry number is 217-235-1. This chemical's molecular formula is C₁₄H₂₃ClN₄O₄S and molecular weight is 378.87. What's more, both its IUPAC name and systematic name are the same which is called Methyl 5-(diaminomethylideneamino)-2-[(4-methylphenyl)sulfonylamino]pentanoate hydrochloride. It is white fine crystalline powder and should be sealed in a cool and dry place.

Physical properties about L-Arginine,N²-[(4-methylphenyl)sulfonyl]-, methyl ester, hydrochloride (1:1) are: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.73; (4)ACD/LogD (pH 7.4): -0.73; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.17; (8)ACD/KOC (pH 7.4): 1.17; (9)#H bond acceptors: 8; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 90.9 Å²; (13)Flash Point: 282.9 °C; (14)Enthalpy of Vaporization: 82.26 kJ/mol; (15)Boiling Point: 544.1 °C at 760 mmHg; (16)Vapour Pressure: 6.73E-12 mmHg at 25 °C ; (17)Melting Point: 145-147 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system, skin and may cause inflammation to the skin or other mucous membranes. In addition, the gas of this chemical can not be breathed. Therefore, you should wear ssuitable gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(c1ccc(cc1)C)N[C@H](C(=O)OC)CCC/N=C(\N)N.Cl
(2) InChI: InChI=1/C14H22N4O4S.ClH/c1-10-5-7-11(8-6-10)23(20,21)18-12(13(19)22-2)4-3-9-17-14(15)16;/h5-8,12,18H,3-4,9H2,1-2H3,(H4,15,16,17);1H/t12-;/m0./s1
(3) InChIKey: JIQFFACVQXXHMY-YDALLXLXBJ