2-Methyl-4,5,6,7-tetrahydro-1H-indol-4-one supplier

Name
1,5,6,7-TETRAHYDRO-2-METHYL-4H-INDOL-4-ONE
EINECS
CAS No. 35308-68-0
Article Data23
CAS DataBase
Density 1.171 g/cm³
Solubility
Melting Point 161.582 °C
Formula C₉H₁₁NO
Boiling Point 330.314 °C at 760 mmHg
Molecular Weight 149.192
Flash Point 161.582°C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Indol-4(5H)-one,6,7-dihydro-2-methyl- (7CI);2-Methyl-4,5,6,7-tetrahydroindol-4-one;2-Methyl-4-oxo-4,5,6,7-tetrahydroindole;
PSA 32.86000
LogP 1.84210

2-Methyl-4,5,6,7-tetrahydro-1H-indol-4-one Specification

The cas register number of 2-Methyl-4,5,6,7-tetrahydro-1H-indol-4-one is 35308-68-0. It also can be called as 4H-Indol-4-one, 1,5,6,7-tetrahydro-2-methyl- and the Systematic name about this chemical is 2-methyl-1,5,6,7-tetrahydro-4H-indol-4-one.

Physical properties about 2-Methyl-4,5,6,7-tetrahydro-1H-indol-4-one are: (1)ACD/LogP: 0.06 ; (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): 10; (6)ACD/BCF (pH 7.4): 10; (7)ACD/KOC (pH 5.5): 178; (8)ACD/KOC (pH 7.4): 178; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 32.86Å²; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 42.428 cm³; (15)Molar Volume: 127.358 cm³; (16)Surface Tension: 49.257 dyne/cm; (17)Density: 1.171 g/cm³; (18)Flash Point: 161.582 °C; (19)Enthalpy of Vaporization: 57.288 kJ/mol; (20)Boiling Point: 330.314 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: O=C2c1c(nc(c1)C)CCC2
2.InChI: InChI=1/C9H11NO/c1-6-5-7-8(10-6)3-2-4-9(7)11/h5,10H,2-4H2,1H3
3.InChIKey: HJIYEKHYUGHTAC-UHFFFAOYAK
4.Std. InChI: InChI=1S/C9H11NO/c1-6-5-7-8(10-6)3-2-4-9(7)11/h5,10H,2-4H2,1H3.

Product Name

1,5,6,7-TETRAHYDRO-2-METHYL-4H-INDOL-4-ONE

2-Methyl-4,5,6,7-tetrahydro-1H-indol-4-one Specification

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