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151409-84-6

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Basic Information
CAS No.: 151409-84-6
Name: 1-ISOPROPYL-1H-INDOLE-3-CARBALDEHYDE
Article Data: 9
Molecular Structure:
Molecular Structure of 151409-84-6 (1-ISOPROPYL-1H-INDOLE-3-CARBALDEHYDE)
Formula: C12H13NO
Molecular Weight: 187.241
Synonyms: 1-Isopropyl-1H-indole-3-carbaldehyde;
Density: 1.06 g/cm3
Boiling Point: 325.6 °C at 760 mmHg
Flash Point: 150.7 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:;
">  Xi:;
PSA: 22.00000
LogP: 3.03470
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Specification

The 1H-Indole-3-carboxaldehyde,1-(1-methylethyl)-, with the CAS registry number 151409-84-6, is also known as 1-Isopropyl-1H-indole-3-carbaldehyde. This chemical's molecular formula is C12H13NO and molecular weight is 187.23772. Its IUPAC name is called 1-propan-2-ylindole-3-carbaldehyde. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of 1H-Indole-3-carboxaldehyde,1-(1-methylethyl)-: (1)ACD/LogP: 2.84; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 2; (4)Index of Refraction: 1.567; (5)Molar Refractivity: 57.18 cm3; (6)Molar Volume: 175 cm3; (7)Surface Tension: 37.3 dyne/cm; (8)Density: 1.06 g/cm3; (9)Flash Point: 150.7 °C; (10)Enthalpy of Vaporization: 56.78 kJ/mol; (11)Boiling Point: 325.6 °C at 760 mmHg; (12)Vapour Pressure: 0.000227 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)N1C=C(C2=CC=CC=C21)C=O
(2)InChI: InChI=1S/C12H13NO/c1-9(2)13-7-10(8-14)11-5-3-4-6-12(11)13/h3-9H,1-2H3
(3)InChIKey: AEECOZTYVNXNDQ-UHFFFAOYSA-N