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22259-53-6

Basic Information
CAS No.: 22259-53-6
Name: (1H-INDOL-3-YL)METHANAMINE
Article Data: 21
Molecular Structure:
Molecular Structure of 22259-53-6 ((1H-INDOL-3-YL)METHANAMINE)
Formula: C9H10N2
Molecular Weight: 146.192
Synonyms: Indole,3-(aminomethyl)- (6CI,7CI,8CI);3-(Aminomethyl)indole;3-Indoylmethanamine;Indole-3-methanamine;
Density: 1.199g/cm3
Melting Point: 101-102℃
Boiling Point: 335.6 °C at 760 mmHg
Flash Point: 183.3 °C
Hazard Symbols: IrritantXi
PSA: 41.81000
LogP: 2.32690
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Specification

The 1H-Indole-3-methanamine, with CAS registry number 22259-53-6, belongs to the following product category:  Pharmacetical. It has the systematic name of 1-(1H-indol-3-yl)methanamine. Besides this, it is also called 3-Methyl-1H-indol-1-amine. And the chemical formula of this chemical is C9H10N2.

Physical properties of 1H-Indole-3-methanamine: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.08; (4)ACD/LogD (pH 7.4): -1.66; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 8.17 Å2; (13)Index of Refraction: 1.697; (14)Molar Refractivity: 46.98 cm3; (15)Molar Volume: 121.8 cm3; (16)Polarizability: 18.62×10-24cm3; (17)Surface Tension: 58.1 dyne/cm; (18)Density: 1.199 g/cm3; (19)Flash Point: 183.3 °C; (20)Enthalpy of Vaporization: 57.87 kJ/mol; (21)Boiling Point: 335.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000118 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: NCc2cnc1ccccc12
(2)InChI: InChI=1/C9H10N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5,10H2
(3)InChIKey: JXYGLMATGAAIBU-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C9H10N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5,10H2
(5)Std. InChIKey: JXYGLMATGAAIBU-UHFFFAOYSA-N