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1227608-02-7

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Basic Information
CAS No.: 1227608-02-7
Name: Benzeneethanamine, 4-chloro-2,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-
Molecular Structure:
Molecular Structure of 1227608-02-7 (Benzeneethanamine, 4-chloro-2,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-)
Formula: C18H22ClNO3
Molecular Weight: 335.831
Synonyms: 2-(4-Chloro-2,5-dimethoxyphenyl)-N-(2-methoxybenzyl)ethanamine;N-(2-Methoxybenzyl)-2-(4-chloro-2,5-dimethoxyphenyl)ethanamine;
EINECS: N/A
Density: 1.149 g/cm3
Melting Point: N/A
Boiling Point: 450.019 °C at 760 mmHg
Flash Point: 225.964 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: N/A
LogP: N/A
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Specification

The Benzeneethanamine, 4-chloro-2,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-, with the CAS registry number 1227608-02-7, is also known as N-(2-Methoxybenzyl)-2-(4-chloro-2,5-dimethoxyphenyl)ethanamine. This chemical's molecular formula is C18H22ClNO3 and molecular weight is 336.00. What's more, its systematic name is called 2-(4-Chloro-2,5-dimethoxyphenyl)-N-(2-methoxybenzyl)ethanamine. This chemical is a derivative of the phenethylamine hallucinogen 2C-C, which acts as a potent partial agonist for the 5HT2A receptor.

Physical properties about Benzeneethanamine, 4-chloro-2,5-dimethoxy-N-[(2-methoxyphenyl)methyl]- are: (1)ACD/LogP: 4.149; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.23; (4)ACD/LogD (pH 7.4): 2.67; (5)ACD/BCF (pH 5.5): 1.02; (6)ACD/BCF (pH 7.4): 27.58; (7)ACD/KOC (pH 5.5): 5.22; (8)ACD/KOC (pH 7.4): 141.67; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 39.72 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 93.448 cm3; (15)Molar Volume: 292.233 cm3; (16)Polarizability: 37.046×10-24cm3; (17)Surface Tension: 38.86 dyne/cm; (18)Density: 1.149 g/cm3; (19)Flash Point: 225.964 °C; (20)Enthalpy of Vaporization: 70.881 kJ/mol; (21)Boiling Point: 450.019 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COc1ccccc1CNCCc2cc(c(cc2OC)Cl)OC
(2) InChI: InChI=1S/C18H22ClNO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3
(3) InChIKey: FJFPOGCVVLUYAQ-UHFFFAOYSA-N