Carbamic acid, (2-oxopentyl)-, 1,1-dimethylethyl ester (9CI) supplier

Name
Carbamic acid, (2-oxopentyl)-, 1,1-dimethylethyl ester (9CI)
EINECS
CAS No. 400045-87-6
Article Data2
CAS DataBase
Density 0.991 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₉NO₃
Boiling Point 294 °C at 760 mmHg
Molecular Weight 201.26
Flash Point 131.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 55.40000
LogP 2.27120

Carbamic acid, (2-oxopentyl)-, 1,1-dimethylethyl ester (9CI) Specification

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

Product Name

Carbamic acid, (2-oxopentyl)-, 1,1-dimethylethyl ester (9CI)

Carbamic acid, (2-oxopentyl)-, 1,1-dimethylethyl ester (9CI) Specification

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