2,5-Dimethoxy-4-isopropylthiophenylethylamine supplier

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Name
2,5-DIMETHOXY-4-ISOPROPYLTHIOPHENYLETHYLAMIN
EINECS
CAS No. 207740-25-8
Density 1.089 g/cm³
Solubility
Melting Point
Formula C₁₃H₂₁NO₂S
Boiling Point 370.782 °C at 760 mmHg
Molecular Weight 255.381
Flash Point 178.043 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,5-Dimethoxy-4-(isopropylthio)phenethylamine;2-[4-(Isopropylsulfanyl)-2,5-dimethoxyphenyl]ethanamine;2-[2,5-Dimethoxy-4-(propan-2-ylsulfanyl)phenyl]ethanamine;
PSA 69.78000
LogP 3.40580

2,5-Dimethoxy-4-isopropylthiophenylethylamine Specification

The Benzeneethanamine,2,5-dimethoxy-4-[(1-methylethyl)thio]-, with the CAS registry number 207740-25-8, is also known as 2-[2,5-Dimethoxy-4-(propan-2-ylsulfanyl)phenyl]ethanamine. This chemical's molecular formula is C₁₃H₂₁NO₂S and molecular weight is 255.13. What's more, its systematic name is 2-[4-(Isopropylsulfanyl)-2,5-dimethoxyphenyl]ethanamine.

Physical properties of Benzeneethanamine,2,5-dimethoxy-4-[(1-methylethyl)thio]- are: (1)ACD/LogP: 2.739; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.31; (4)ACD/LogD (pH 7.4): 0.65; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 6.03; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 69.78 Å²; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 74.239 cm³; (15)Molar Volume: 234.58 cm³; (16)Polarizability: 29.431×10^-24cm³; (17)Surface Tension: 42.65 dyne/cm; (18)Density: 1.089 g/cm³; (19)Flash Point: 178.043 °C; (20)Enthalpy of Vaporization: 61.772 kJ/mol; (21)Boiling Point: 370.782 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)Sc1cc(OC)c(cc1OC)CCN
(2)Std. InChI: InChI=1S/C13H21NO2S/c1-9(2)17-13-8-11(15-3)10(5-6-14)7-12(13)16-4/h7-9H,5-6,14H2,1-4H3
(3)Std. InChIKey: HDYZSVKZKDPLDT-UHFFFAOYSA-N

Product Name

2,5-DIMETHOXY-4-ISOPROPYLTHIOPHENYLETHYLAMIN

2,5-Dimethoxy-4-isopropylthiophenylethylamine Specification

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