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147591-52-4

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Basic Information
CAS No.: 147591-52-4
Name: ALPHA-METHYLINDOL-5-METHANAMINE
Article Data: 1
Molecular Structure:
Molecular Structure of 147591-52-4 (ALPHA-METHYLINDOL-5-METHANAMINE)
Formula: C10H12N2
Molecular Weight: 160.219
Synonyms: 1-(1H-Indol-5-yl)ethanamine;1-(1H-Indol-5-yl)ethan-1-amine;alpha-Methylindol-5-methanamine;
EINECS: 604-604-1
Density: 1.151 g/cm3
Boiling Point: 327.2 °C at 760 mmHg
Flash Point: 177.9 °C
PSA: 41.81000
LogP: 2.88790
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Specification

The 1H-Indole-5-methanamine,a-methyl-, with the CAS registry number 147591-52-4, is also known as alpha-Methylindol-5-methanamine. This chemical's molecular formula is C10H12N2 and molecular weight is 160.22. What's more, its IUPAC name is 1-(1H-indol-5-yl)ethanamine.

Physical properties of 1H-Indole-5-methanamine,a-methyl- are: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 41.81 Å2; (7)Index of Refraction: 1.664; (8)Molar Refractivity: 51.61 cm3; (9)Molar Volume: 139.1 cm3; (10)Polarizability: 20.46×10-24cm3; (11)Surface Tension: 52.8 dyne/cm; (12)Density: 1.151 g/cm3; (13)Flash Point: 177.9 °C; (14)Enthalpy of Vaporization: 56.95 kJ/mol; (15)Boiling Point: 327.2 °C at 760 mmHg; (16)Vapour Pressure: 0.000206 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(N)c1cc2ccnc2cc1
(2)Std. InChI: InChI=1S/C10H12N2/c1-7(11)8-2-3-10-9(6-8)4-5-12-10/h2-7,12H,11H2,1H3
(3)Std. InChIKey: IRGHGODKKCDIFK-UHFFFAOYSA-N