1H-Indole-3-ethanamine,1-methyl- supplier

Name
1-METHYLTRYPTAMINE
EINECS 231-377-1
CAS No. 7518-21-0
Article Data38
CAS DataBase
Density 1.09 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₄N₂
Boiling Point 330.3 °C at 760 mmHg
Molecular Weight 174.246
Flash Point 153.6 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms N-Methyltryptamine;2-(1-Methyl-1H-indol-3-yl)ethanamine;Methyltryptamine;
PSA 30.95000
LogP 2.37980

1H-Indole-3-ethanamine,1-methyl- Specification

The 1H-Indole-3-ethanamine,1-methyl-, with the CAS registry number 7518-21-0, is also known as N-Methyltryptamine. Its EINECS number is 231-377-1. This chemical's molecular formula is C₁₁H₁₄N₂ and molecular weight is 174.24. What's more, its IUPAC name is 2-(1-methylindol-3-yl)ethanamine.

Physical properties of 1H-Indole-3-ethanamine,1-methyl- are: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.31; (4)ACD/LogD (pH 7.4): -0.82; (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: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 8.17 Å²; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 53.82 cm³; (15)Molar Volume: 159.2 cm³; (16)Polarizability: 21.33×10^-24cm³; (17)Surface Tension: 41 dyne/cm; (18)Density: 1.09 g/cm³; (19)Flash Point: 153.6 °C; (20)Enthalpy of Vaporization: 57.29 kJ/mol; (21)Boiling Point: 330.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000167 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cccc2c1c(cn2C)CCN
(2)Std. InChI: InChI=1S/C11H14N2/c1-13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,8H,6-7,12H2,1H3
(3)Std. InChIKey: CAAGZPJPCKMFBD-UHFFFAOYSA-N

Product Name

1-METHYLTRYPTAMINE

1H-Indole-3-ethanamine,1-methyl- Specification

Related Products

Hot Products