2-(5-Methyl-1H-indol-3-yl)ethanamine supplier

Name
5-METHYLTRYPTAMINE HYDROCHLORIDE
EINECS 213-777-8
CAS No. 1821-47-2
Article Data20
CAS DataBase
Density 1.127 g/cm³
Solubility
Melting Point 290-292 °C
Formula C₁₁H₁₄N₂
Boiling Point 355.308 °C at 760 mmHg
Molecular Weight 174.246
Flash Point 195.89 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Indole,3-(2-aminoethyl)-5-methyl- (6CI,7CI,8CI);2-(5-Methyl-1H-indol-3-yl)ethanamine;2-(5-Methyl-1H-indol-3-yl)ethylamine;2-(5-Methyl-indol-3-yl)ethyl amine;5-Methyltryptamine;NSC 90805;
PSA 41.81000
LogP 2.67780

2-(5-Methyl-1H-indol-3-yl)ethanamine Specification

The 1H-Indole-3-ethanamine,5-methyl-, with the CAS registry number 1821-47-2, is also known as 5-Methyl-3-(aminoethyl)indole. This chemical's molecular formula is C₁₁H₁₄N₂ and molecular weight is 174.24226. Its IUPAC name is called 2-(5-methyl-1H-indol-3-yl)ethanamine.

Physical properties of 1H-Indole-3-ethanamine,5-methyl-: (1)ACD/LogP: 1.84; (2)ACD/LogD (pH 5.5): -1.25; (3)ACD/LogD (pH 7.4): -0.77; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.65; (12)Molar Refractivity: 56.43 cm³; (13)Molar Volume: 154.6 cm³; (14)Surface Tension: 51.3 dyne/cm; (15)Density: 1.126 g/cm³; (16)Flash Point: 195.9 °C; (17)Enthalpy of Vaporization: 60.04 kJ/mol; (18)Boiling Point: 355.3 °C at 760 mmHg; (19)Vapour Pressure: 3.16E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC2=C(C=C1)NC=C2CCN
(2)InChI: InChI=1S/C11H14N2/c1-8-2-3-11-10(6-8)9(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
(3)InChIKey: PYOUAIQXJALPKW-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	50mg/kg (50mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12006,

Product Name

5-METHYLTRYPTAMINE HYDROCHLORIDE

2-(5-Methyl-1H-indol-3-yl)ethanamine Specification

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