6-(BOC-AMINO)-HEXYL BROMIDE

The Carbamic acid, N-(6-bromohexyl)-, 1, 1-dimethylethyl ester, with the CAS registry number 142356-33-0, is also known as N-Boc-6-bromo-hexylamine. This chemical's molecular formula is C₁₁H₂₂BrNO₂ and molecular weight is 280.20188. What's more, its IUPAC name is tert-Butyl N-(6-bromohexyl)carbamate. In addition, it should be stored at 2-8 °C. Besides, this chemical is an intermediate used in the synthesis of fluorescent indicators and various inhibitors.

Physical properties about Carbamic acid, N-(6-bromohexyl)-, 1, 1-dimethylethyl ester are: (1)ACD/LogP: 3.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 340; (6)ACD/BCF (pH 7.4): 340; (7)ACD/KOC (pH 5.5): 2258; (8)ACD/KOC (pH 7.4): 2258; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 38.33 Å²; (13)Index of Refraction: 1.473; (14)Molar Refractivity: 66.078 cm³; (15)Molar Volume: 235.638 cm³; (16)Polarizability: 26.195×10^-24 cm³; (17)Surface Tension: 34.169 dyne/cm; (18)Density: 1.189 g/cm³; (19)Flash Point: 159.477 °C; (20)Enthalpy of Vaporization: 58.36 kJ/mol; (21)Boiling Point: 340.083 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical has risk of serious damage to eyes. In addition, it may cause inflammation to the skin or other mucous membranes. During using it, wear eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)OC(=O)NCCCCCCBr
(2) InChI: InChI=1/C11H22BrNO2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8-12/h4-9H2,1-3H3,(H,13,14)
(3) InChIKey: NXQXVXILNVTMNA-UHFFFAOYAD