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CAS No.: | 400045-87-6 |
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Name: | Carbamic acid, (2-oxopentyl)-, 1,1-dimethylethyl ester (9CI) |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C10H19NO3 |
Molecular Weight: | 201.26 |
Synonyms: | tert-butyl 2-oxopentylcarbamate;(tert-butoxy)-N-(2-oxopentyl)carboxamide;(2-Oxo-pentyl)-carbamic acidtert-butylester;(2-Oxo-pentyl)-carbamic acid tert-butyl ester;2-Methyl-2-propanyl (2-oxopentyl)carbamate; |
Density: | 0.991 g/cm3 |
Boiling Point: | 294 °C at 760 mmHg |
Flash Point: | 131.6 °C |
PSA: | 55.40000 |
LogP: | 2.27120 |
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The Carbamic acid, (2-oxopentyl)-, 1,1-dimethylethyl ester (9CI), with the CAS registry number 400045-87-6, is also known as Tert-butyl 2-oxopentylcarbamate. It belongs to the product category of N-BOC. This chemical's molecular formula is C10H19NO3 and molecular weight is 201.26.
Physical properties of Carbamic acid, (2-oxopentyl)-, 1,1-dimethylethyl ester (9CI) are: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.94; (4)ACD/LogD (pH 7.4): 1.94; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 6; (8)Polar Surface Area: 55.4 Å2; (9)Index of Refraction: 1.442; (10)Molar Refractivity: 53.74 cm3; (11)Molar Volume: 203 cm3; (12)Polarizability: 21.3×10-24 cm3; (13)Surface Tension: 31.9 dyne/cm; (14)Density: 0.991 g/cm3; (15)Flash Point: 131.6 °C; (16)Enthalpy of Vaporization: 53.36 kJ/mol; (17)Boiling Point: 294 °C at 760 mmHg; (18)Vapour Pressure: 0.00167 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCC(=O)CNC(=O)OC(C)(C)C
(2)InChI: InChI=1/C10H19NO3/c1-5-6-8(12)7-11-9(13)14-10(2,3)4/h5-7H2,1-4H3,(H,11,13)
(3)InChIKey: YBIVCDFXYYMLAT-UHFFFAOYAA