Carbamic acid,N-(3-bromopropyl)-, 1,1-dimethylethyl ester (83948-53-2)

The tert-Butyl 3-bromopropylcarbamate with the CAS number 83948-53-2 is also called Carbamic acid,N-(3-bromopropyl)-, 1,1-dimethylethyl ester. Both the systematic name and IUPAC name are tert-butyl N-(3-bromopropyl)carbamate. Its molecular formula is C₈H₁₆BrNO₂. This chemical should be stored at 2-8°C. It is white low melting solid.

The properties of the tert-Butyl 3-bromopropylcarbamate are: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.371; (4)ACD/LogD (pH 7.4): 2.371; (5)ACD/BCF (pH 5.5): 37.319; (6)ACD/BCF (pH 7.4): 37.319; (7)ACD/KOC (pH 5.5): 464.304; (8)ACD/KOC (pH 7.4): 464.3; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 38.33Ų; (13)Index of Refraction: 1.473; (14)Molar Refractivity: 52.179 cm³; (15)Molar Volume: 186.118 cm³; (16)Polarizability: 20.685×10^-24cm³; (17)Surface Tension: 34.282 dyne/cm; (18)Enthalpy of Vaporization: 52.432 kJ/mol; (19)Vapour Pressure: 0.003 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is harmful if swallowed. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. In case of contact 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: CC(C)(C)OC(=O)NCCCBr
(2)InChI: InChI=1/C8H16BrNO2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-6H2,1-3H3,(H,10,11)
(3)InChIKey: IOKGWQZQCNXXLD-UHFFFAOYAN