Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1H-Indole-3-carboxaldehyde, 1-(2-propen-1-yl)- |
EINECS | N/A |
CAS No. | 111480-86-5 | Density | 1.05 g/cm3 |
PSA | 22.00000 | LogP | 2.63980 |
Solubility | N/A | Melting Point |
73-74 °C |
Formula | C12H11NO | Boiling Point | 339.2 °C at 760 mmHg |
Molecular Weight | 185.225 | Flash Point | 158.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37 | Risk Codes |
Xi:; |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
1-Allyl-1H-indole-3-carbaldehyde;1-Prop-2-enylindole-3-carbaldehyde; |
Article Data | 26 |
The 1H-Indole-3-carboxaldehyde, 1-(2-propen-1-yl)-, with the CAS registry number 111480-86-5, is also known as 1-Allyl-1H-indole-3-carbaldehyde. This chemical's molecular formula is C12H11NO and molecular weight is 185.22. What's more, its IUPAC name is 1-prop-2-enylindole-3-carbaldehyde.
Physical properties of 1H-Indole-3-carboxaldehyde, 1-(2-propen-1-yl)- are: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 22 Å2; (7)Index of Refraction: 1.565; (8)Molar Refractivity: 57.37 cm3; (9)Molar Volume: 175.9 cm3; (10)Surface Tension: 39.2 dyne/cm; (11)Density: 1.05 g/cm3; (12)Flash Point: 158.9 °C; (13)Enthalpy of Vaporization: 58.26 kJ/mol; (14)Boiling Point: 339.2 °C at 760 mmHg; (15)Vapour Pressure: 9.35E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C=CCN1C=C(C2=CC=CC=C21)C=O
(2)InChI: InChI=1S/C12H11NO/c1-2-7-13-8-10(9-14)11-5-3-4-6-12(11)13/h2-6,8-9H,1,7H2
(3)InChIKey: UFIVJAIYQNRQOK-UHFFFAOYSA-N