Methyl 3-cyclohexyl-1H-indole-6-carboxylate supplier

Name
3-CYCLOHEXYL-1H-INDOLE-6-CARBOXYLIC ACID METHYL ESTER
EINECS
CAS No. 494799-18-7
Article Data15
CAS DataBase
Density 1.164 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₉NO₂
Boiling Point 431.6 °C at 760 mmHg
Molecular Weight 257.332
Flash Point 214.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Cyclohexyl-1H-indole-6-carboxylicacid methyl ester;Methyl 3-cyclohexyl-1H-indole-6-carboxylate;Methyl 3-cyclohexyl-6-indolecarboxylate;
PSA 42.09000
LogP 4.00220

Methyl 3-cyclohexyl-1H-indole-6-carboxylate Specification

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

Product Name

3-CYCLOHEXYL-1H-INDOLE-6-CARBOXYLIC ACID METHYL ESTER

Methyl 3-cyclohexyl-1H-indole-6-carboxylate Specification

Related Products

Hot Products