CAS No.3468-17-5,1H-Indole-6-methanamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3468-17-5
Name:	1H-Indole-6-methanamine
Article Data:	2

Formula:	C₉H₁₀N₂
Molecular Weight:	146.192
Synonyms:	Indole,6-(aminomethyl)- (7CI,8CI);1-(1H-Indol-6-yl)methanamine;6-(Aminomethyl)-1H-indole;6-(Aminomethyl)indole;
Density:	1.2g/cm³
Melting Point:	135-140℃
Boiling Point:	335.599 °C at 760 mmHg
Flash Point:	183.277 °C
Solubility:	Slightly soluble in water.
Hazard Symbols:	Xi
Risk Codes:	Xi:; "> Xi:;
Safety:	26-39
PSA:	41.81000
LogP:	2.32690

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Specification

The 1H-Indole-6-methanamine, with CAS registry number 3468-17-5, has the systematic name of 1-(1H-indol-6-yl)methanamine. Besides this, it is also called 6-(Aminomethyl)indole. Its molecular weight is 146.19. And the chemical formula of this chemical is C₉H₁₀N₂.

Physical properties of 1H-Indole-6-methanamine: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 41.81 Å²; (11)Index of Refraction: 1.698; (12)Molar Refractivity: 46.98 cm³; (13)Molar Volume: 121.86 cm³; (14)Polarizability: 18.624×10^-24cm³; (15)Surface Tension: 58.183 dyne/cm; (16)Density: 1.2 g/cm³; (17)Flash Point: 183.277 °C; (18)Enthalpy of Vaporization: 57.867 kJ/mol; (19)Boiling Point: 335.599 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: NCc1ccc2ccnc2c1
(2)InChI: InChI=1/C9H10N2/c10-6-7-1-2-8-3-4-11-9(8)5-7/h1-5,11H,6,10H2
(3)InChIKey: FURRUNQWZZOXOT-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C9H10N2/c10-6-7-1-2-8-3-4-11-9(8)5-7/h1-5,11H,6,10H2
(5)Std. InChIKey: FURRUNQWZZOXOT-UHFFFAOYSA-N