Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Diethyl 2-(1H-indol-3-ylmethyl)propanedioate |
EINECS | N/A |
CAS No. | 10184-98-2 | Density | 1.2 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C16H19NO4 | Boiling Point | 431.2 °C at 760 mmHg |
Molecular Weight | 289.331 | Flash Point | 214.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Diethyl (1H-indol-3-ylmethyl)propanedioate; |
Article Data | 16 |
The CAS registry number of Diethyl 2-(1H-indol-3-ylmethyl)propanedioate is 10184-98-2. Its molecular formula is C16H19NO4 and molecular weight is 289.3264. Its systematic name and IUPAC name are the same which is called diethyl (1H-indol-3-ylmethyl)propanedioate.
Physical properties about Diethyl 2-(1H-indol-3-ylmethyl)propanedioate are: (1)ACD/LogP: 2.68; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 8; (6)Index of Refraction: 1.572; (7)Molar Refractivity: 79.38 cm3; (8)Molar Volume: 241 cm3; (9)Surface Tension: 47.4 dyne/cm; (10)Density: 1.2 g/cm3; (11)Flash Point: 214.6 °C; (12)Enthalpy of Vaporization: 68.68 kJ/mol; (13)Boiling Point: 431.2 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C(C(=O)OCC)Cc2c1ccccc1nc2
(2)InChI: nChI=1/C16H19NO4/c1-3-20-15(18)13(16(19)21-4-2)9-11-10-17-14-8-6-5-7-12(11)14/h5-8,10,13,17H,3-4,9H2,1-2H3
(3)InChIKey: NRILVVVGVUMKEK-UHFFFAOYAU