N-(TERT-BUTOXYCARBONYL)-1-AMINO-1-CYCLOPENTANECARBOXALDEHYDE

The Carbamic acid,N-(1-formylcyclopentyl)-, 1,1-dimethylethyl ester, with CAS registry number 168539-99-9, belongs to the following product category: N-BOC. It has the systematic name of tert-butyl (1-formylcyclopentyl)carbamate. And the chemical formula of this chemical is C₁₁H₁₉NO₃.

Physical properties of Carbamic acid,N-(1-formylcyclopentyl)-, 1,1-dimethylethyl ester: (1)ACD/LogP: 1.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 15; (6)ACD/BCF (pH 7.4): 15; (7)ACD/KOC (pH 5.5): 243; (8)ACD/KOC (pH 7.4): 243; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.4 Å²; (13)Index of Refraction: 1.477; (14)Molar Refractivity: 56.8 cm³; (15)Molar Volume: 200.871 cm³; (16)Polarizability: 22.517×10^-24cm³; (17)Surface Tension: 37.258 dyne/cm; (18)Density: 1.062 g/cm³; (19)Flash Point: 145.493 °C; (20)Enthalpy of Vaporization: 55.833 kJ/mol; (21)Boiling Point: 316.961 °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:
The Carbamic acid,N-(1-formylcyclopentyl)-, 1,1-dimethylethyl ester irritates to eyes, respiratory system and skin. And this chemical has risk of serious damage to the eyes. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. Secondly, it is very toxic to aquatic organisms, so avoid release it to the environment. Refer to special instructions / safety data sheets. This material and its container must be disposed of as hazardous waste.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)NC1(CCCC1)C=O
(2)InChI: InChI=1/C11H19NO3/c1-10(2,3)15-9(14)12-11(8-13)6-4-5-7-11/h8H,4-7H2,1-3H3,(H,12,14)
(3)InChIKey: PJHYKFQYQMRNJR-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-11(8-13)6-4-5-7-11/h8H,4-7H2,1-3H3,(H,12,14)
(5)Std. InChIKey: PJHYKFQYQMRNJR-UHFFFAOYSA-N