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Basic Information
CAS No.: 493-50-5
Name: 1-Methyl-1,2,3,4-tetrahydro-quinoline-6-carbaldehyde
Article Data: 11
Molecular Structure:
Molecular Structure of 493-50-5 (1-Methyl-1,2,3,4-tetrahydro-quinoline-6-carbaldehyde)
Formula: C11H13NO
Molecular Weight: 175.23
Synonyms: 1-Methyl-1,2,3,4-tetrahydroquinoline-6-carbaldehyde;ZINC03882898;AC1Q3ZQE;AC1MDO69;
Density: 1.102 g/cm3
Melting Point: 28-29 °C
Boiling Point: 342.7 °C at 760 mmHg
Flash Point: 142.5 °C
Hazard Symbols: IrritantXi
Risk Codes: 52
PSA: 20.31000
LogP: 1.94650
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Specification

The 6-Quinolinecarboxaldehyde,1,2,3,4-tetrahydro-1-methyl- with CAS registry number of 493-50-5 is also known as 1-Methyl-1,2,3,4-tetrahydroquinoline-6-carbaldehyde. The IUPAC name is 1-Methyl-1,2,3,4-tetrahydro-quinoline-6-carbaldehyde. In addition, the formula is C11H13NO and the molecular weight is 175.23.

Physical properties about 6-Quinolinecarboxaldehyde,1,2,3,4-tetrahydro-1-methyl- are: (1)ACD/LogP: 2.18; (2)ACD/LogD (pH 5.5): 2.18; (3)ACD/LogD (pH 7.4): 2.18; (4)ACD/BCF (pH 5.5): 26.72; (5)ACD/BCF (pH 7.4): 26.76; (6)ACD/KOC (pH 5.5): 365.4; (7)ACD/KOC (pH 7.4): 365.97; (8)#H bond acceptors: 2 ; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.587; (11)Molar Refractivity: 53.45 cm3; (12)Molar Volume: 158.9 cm3; (13)Surface Tension: 42.5 dyne/cm; (14)Density: 1.102 g/cm3; (15)Flash Point: 142.5 °C; (16)Enthalpy of Vaporization: 58.64 kJ/mol; (17)Boiling Point: 342.7 °C at 760 mmHg; (18)Vapour Pressure: 7.41E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=Cc1ccc2c(c1)CCCN2C
2. InChI: InChI=1/C11H13NO/c1-12-6-2-3-10-7-9(8-13)4-5-11(10)12/h4-5,7-8H,2-3,6H2,1H3
3. InChIKey: XPXZIZIGEKZVMQ-UHFFFAOYAW
4. Std. InChI: InChI=1S/C11H13NO/c1-12-6-2-3-10-7-9(8-13)4-5-11(10)12/h4-5,7-8H,2-3,6H2,1H3
5. Std. InChIKey: XPXZIZIGEKZVMQ-UHFFFAOYSA-N