Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Methyl 3-cyclohexyl-1H-indole-6-carboxylate |
EINECS | N/A |
CAS No. | 494799-18-7 | Density | 1.164 g/cm3 |
PSA | 42.09000 | LogP | 4.00220 |
Solubility | N/A | Melting Point |
N/A |
Formula | C16H19NO2 | Boiling Point | 431.6 °C at 760 mmHg |
Molecular Weight | 257.332 | Flash Point | 214.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Cyclohexyl-1H-indole-6-carboxylicacid methyl ester;Methyl 3-cyclohexyl-1H-indole-6-carboxylate;Methyl 3-cyclohexyl-6-indolecarboxylate; |
Article Data | 15 |
This chemical is called Methyl 3-cyclohexyl-1H-indole-6-carboxylate, and it can also be named as 1H-indole-6-carboxylic acid, 3-cyclohexyl-, methyl ester. With the molecular formula of C16H19NO2, its molecular weight is 257.33. The CAS registry number of this chemical is 494799-18-7.
Other characteristics of the Methyl 3-cyclohexyl-1H-indole-6-carboxylate can be summarised as followings: (1)ACD/LogP: 4.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.64; (4)ACD/LogD (pH 7.4): 4.64; (5)ACD/BCF (pH 5.5): 1978; (6)ACD/BCF (pH 7.4): 1978; (7)ACD/KOC (pH 5.5): 7962.23; (8)ACD/KOC (pH 7.4): 7962.23; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 31.23 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 76.16 cm3; (15)Molar Volume: 220.9 cm3; (16)Polarizability: 30.19×10-24cm3; (17)Surface Tension: 48 dyne/cm; (18)Density: 1.164 g/cm3; (19)Flash Point: 214.8 °C; (20)Enthalpy of Vaporization: 68.73 kJ/mol; (21)Boiling Point: 431.6 °C at 760 mmHg; (22)Vapour Pressure: 1.18E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC)c1ccc2c(c1)ncc2C3CCCCC3
2.InChI: InChI=1/C16H19NO2/c1-19-16(18)12-7-8-13-14(10-17-15(13)9-12)11-5-3-2-4-6-11/h7-11,17H,2-6H2,1H3
3.InChIKey: ISGMYFROWQKXIL-UHFFFAOYAH