23076-35-9

The 4H-1,3-Thiazin-2-amine,N-(2,6-dimethylphenyl)-5,6-dihydro-, hydrochloride (1:1) is an organic compound with the formula C₁₂H₁₆N₂S^.HCl. The IUPAC name of this chemical is N-(2,6-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine hydrochloride. With the CAS registry number 23076-35-9, it is also named as 2-(2,6-Dimethylphenylamino)-4H-5,6-dihydro-1,3-thiazine hydrochloride . The product's classification codes are Analgesic; Drug / Therapeutic Agent; Human Data; Relaxant [muscle, veterinary].

Physical properties about 4H-1,3-Thiazin-2-amine,N-(2,6-dimethylphenyl)-5,6-dihydro-, hydrochloride (1:1) are: (1)ACD/LogP: 2.37; (2)ACD/LogD (pH 5.5): 0.59; (3)ACD/LogD (pH 7.4): 1.92; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 13.3; (6)ACD/KOC (pH 5.5): 7.74; (7)ACD/KOC (pH 7.4): 165.43; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 40.9 Å²; (12)Flash Point: 155.9 °C; (13)Enthalpy of Vaporization: 57.72 kJ/mol; (14)Boiling Point: 334.2 °C at 760 mmHg; (15)Vapour Pressure: 0.00013 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is toxic if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.N\1=C(\SCCC/1)Nc2c(cccc2C)C
(2)InChI: InChI=1/C12H16N2S.ClH/c1-9-5-3-6-10(2)11(9)14-12-13-7-4-8-15-12;/h3,5-6H,4,7-8H2,1-2H3,(H,13,14);1H
(3)InChIKey: QYEFBJRXKKSABU-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C12H16N2S.ClH/c1-9-5-3-6-10(2)11(9)14-12-13-7-4-8-15-12;/h3,5-6H,4,7-8H2,1-2H3,(H,13,14);1H
(5)Std. InChIKey: QYEFBJRXKKSABU-UHFFFAOYSA-N

The toxicity data is as follows: