4-Methoxy-2,3-dihydro-1H-indole supplier

Name
4-Methoxy-2,3-dihydro-1H-indole
EINECS
CAS No. 7555-94-4
Article Data20
CAS DataBase
Density 1.077g/cm³
Solubility
Melting Point
Formula C₉H₁₁NO
Boiling Point 278.058°C at 760 mmHg
Molecular Weight 149.192
Flash Point 104.252°C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1H-Indole, 2,3-dihydro-4-methoxy-;4-methoxyindoline;
PSA 21.26000
LogP 1.80120

4-Methoxy-2,3-dihydro-1H-indole Specification

The Systematic name about this chemical is 4-methoxy-2,3-dihydro-1H-indole. The cas register number of 4-Methoxy-2,3-dihydro-1H-indole is 7555-94-4. It also can be called as 1H-indole, 2,3-dihydro-4-methoxy-.

Physical properties about 4-Methoxy-2,3-dihydro-1H-indole are: (1)ACD/LogP: 1.91; (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): 13; (6)ACD/BCF (pH 7.4): 17; (7)ACD/KOC (pH 5.5): 203; (8)ACD/KOC (pH 7.4): 260; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 21.26Å²; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 43.842 cm³; (15)Molar Volume: 138.56 cm³; (16)Surface Tension: 37.525 dyne/cm; (17)Density: 1.077 g/cm³; (18)Flash Point: 104.252 °C; (19)Enthalpy of Vaporization: 51.666 kJ/mol; (20)Boiling Point: 278.058 °C at 760 mmHg; (21)Vapour Pressure: 0.004 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: COc1cccc2c1CCN2
2.InChI: InChI=1/C9H11NO/c1-11-9-4-2-3-8-7(9)5-6-10-8/h2-4,10H,5-6H2,1H3
3.InChIKey: MIOTXFNRNVNXDP-UHFFFAOYAK
4.Std. InChI: InChI=1S/C9H11NO/c1-11-9-4-2-3-8-7(9)5-6-10-8/h2-4,10H,5-6H2,1H3.

Product Name

4-Methoxy-2,3-dihydro-1H-indole

4-Methoxy-2,3-dihydro-1H-indole Specification

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