N-BUTYL ISOCYANATOACETATE

The Acetic acid,2-isocyanato-, butyl ester is an organic compound with the formula C₇H₁₁NO₃. The IUPAC name of this chemical is Butyl 2-isocyanatoacetate. With the CAS registry number 17046-22-9, it is also named as Glycine, N-carbonyl-, butyl ester. The product's categories are Isocyanates; Nitrogen Compounds; Organic Building Blocks. Besides, its molecular weight is clear colorless to slightly yellow liquid, which should be stored in a sealed, dry, well-ventilated, lightproof place.

Physical properties about Acetic acid,2-isocyanato-, butyl ester are: (1)ACD/LogP: 2.52; (2)ACD/LogD (pH 5.5): 2.52; (3)ACD/LogD (pH 7.4): 2.52; (4)ACD/BCF (pH 5.5): 48.79; (5)ACD/BCF (pH 7.4): 48.79; (6)ACD/KOC (pH 5.5): 562.52; (7)ACD/KOC (pH 7.4): 562.52; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 55.73 Å²; (11)Index of Refraction: 1.455; (12)Molar Refractivity: 40.76 cm³; (13)Molar Volume: 150 cm³; (14)Polarizability: 16.16×10^-24 cm³; (15)Surface Tension: 35.9 dyne/cm; (16)Density: 1.04 g/cm³; (17)Flash Point: 70.7 °C; (18)Enthalpy of Vaporization: 43.11 kJ/mol; (19)Boiling Point: 194.9 °C at 760 mmHg; (20)Vapour Pressure: 0.431 mmHg at 25 °C. 

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer). 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)InChI: InChI=1/C7H11NO3/c1-2-3-4-11-7(10)5-8-6-9/h2-5H2,1H3
(2)InChIKey: RMZSOGJUEUFCBK-UHFFFAOYAO
(3)Std. InChI: InChI=1S/C7H11NO3/c1-2-3-4-11-7(10)5-8-6-9/h2-5H2,1H3
(4)Std. InChIKey: RMZSOGJUEUFCBK-UHFFFAOYSA-N