3-Isobutyl-2-oxindole supplier

Name
3-Isobutyl-2-oxindole
EINECS
CAS No. 251550-17-1
Article Data8
CAS DataBase
Density 1.039 g/cm³
Solubility
Melting Point 96.0-97.0 °C(Solv: dichloromethane (75-09-2); hexane (110-54-3))
Formula C₁₂H₁₅NO
Boiling Point 313.6 °C at 760 mmHg
Molecular Weight 189.257
Flash Point 185 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Isobutyl-1,3-dihydro-2H-indol-2-one;
PSA 29.10000
LogP 2.90640

3-Isobutyl-2-oxindole Specification

The cas register number of 3-Isobutyl-2-oxindole is 251550-17-1. It also can be called as 3-Isobutyl-1,3-dihydroindol-2-one and the Systematic name about this chemical is 3-(2-methylpropyl)-1,3-dihydro-2H-indol-2-one.

Physical properties about 3-Isobutyl-2-oxindole are: (1)ACD/LogP: 3.05; (2)ACD/LogD (pH 5.5): 3.05; (3)ACD/LogD (pH 7.4): 3.05; (4)ACD/BCF (pH 5.5): 122.92; (5)ACD/BCF (pH 7.4): 122.93; (6)ACD/KOC (pH 5.5): 1089.86; (7)ACD/KOC (pH 7.4): 1089.89; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 20.31Å²; (12)Index of Refraction: 1.525; (13)Molar Refractivity: 55.84 cm³; (14)Molar Volume: 182 cm³; (15)Polarizability: 22.13x10^-24cm³; (16)Surface Tension: 34.7 dyne/cm; (17)Enthalpy of Vaporization: 55.47 kJ/mol; (18)Vapour Pressure: 0.00049 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2Nc1ccccc1C2CC(C)C
(2)InChI: InChI=1/C12H15NO/c1-8(2)7-10-9-5-3-4-6-11(9)13-12(10)14/h3-6,8,10H,7H2,1-2H3,(H,13,14)
(3)InChIKey: UHNMEXRCASTLJV-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C12H15NO/c1-8(2)7-10-9-5-3-4-6-11(9)13-12(10)14/h3-6,8,10H,7H2,1-2H3,(H,13,14)
(5)Std. InChIKey: UHNMEXRCASTLJV-UHFFFAOYSA-N

Product Name

3-Isobutyl-2-oxindole

3-Isobutyl-2-oxindole Specification

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