1H-Indole-3-ethanamine,5-chloro-N,N-dimethyl- supplier

Name
5-CHLORO-N,N-DIMETHYLTRYPTAMINE
EINECS
CAS No. 22120-32-7
Article Data7
CAS DataBase
Density 1.191 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₅ClN₂
Boiling Point 363.9 °C at 760 mmHg
Molecular Weight 222.718
Flash Point 173.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Chloro-N,N-dimethyltryptamine;
PSA 19.03000
LogP 2.92540

1H-Indole-3-ethanamine,5-chloro-N,N-dimethyl- Specification

The 1H-Indole-3-ethanamine,5-chloro-N,N-dimethyl-, with the CAS registry number 22120-32-7, is also known as 5-Chloro-N,N-dimethyltryptamine. This chemical's molecular formula is C₁₂H₁₅ClN₂ and molecular weight is 222.71. What's more, its systematic name is 2-(5-chloro-1H-indol-3-yl)-N,N-dimethylethanamine.

Physical properties of 1H-Indole-3-ethanamine,5-chloro-N,N-dimethyl- are: (1)ACD/LogP: 2.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.17; (4)ACD/LogD (pH 7.4): 1.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.27; (7)ACD/KOC (pH 5.5): 1; (8)CD/KOC (pH 7.4): 12.49; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 8.17 Å²; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 65.95 cm³; (15)Molar Volume: 186.9 cm³; (16)Polarizability: 26.14×10^-24cm³; (17)Surface Tension: 46.6 dyne/cm; (18)Density: 1.191 g/cm³; (19)Flash Point: 173.9 °C; (20)Enthalpy of Vaporization: 61.01 kJ/mol; (21)Boiling Point: 363.9 °C at 760 mmHg; (22)Vapour Pressure: 1.74E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc2c(cc1)ncc2CCN(C)C
(2)Std. InChI: InChI=1S/C12H15ClN2/c1-15(2)6-5-9-8-14-12-4-3-10(13)7-11(9)12/h3-4,7-8,14H,5-6H2,1-2H3
(3)Std. InChIKey: LXATUVRMTAHHDX-UHFFFAOYSA-N

Product Name

5-CHLORO-N,N-DIMETHYLTRYPTAMINE

1H-Indole-3-ethanamine,5-chloro-N,N-dimethyl- Specification

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