Basic information
- Name:
Benzeneethanamine,2,5-dimethoxy-4-(propylthio)-
- Superlist Name:
- 2,5-Dimethoxy-4-propylthiophenethylamine
- CAS No.:
207740-26-9
- Molecular Structure:
- Formula:
- C13H21NO2S
- Molecular Weight:
- 255.38
- Synonyms:
- 2,5-Dimethoxy-4-(n)-propylthiophenethylamine;2,5-Dimethoxy-4-(propylthio)phenethylamine;2C-T7;2-(2,5-dimethoxy-4-propylsulfanyl-phenyl)ethanamine;2,5-dimethoxy-4-n-propylthiophenethylamine;benzeneethanamine, 2,5-dimethoxy-4-(propylthio)-;2-[2,5-Dimethoxy-4-(propylsulfanyl)phenyl]ethanamine;
- Density:
- 1.092 g/cm3
- Boiling Point:
- 376.463 °C at 760 mmHg
- Flash Point:
- 181.479 °C
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Specification
The 2,5-Dimethoxy-4-propylthiophenethylamine, with the cas registry number 207740-26-9, has the systematic name and IUPAC name of 2-(2,5-dimethoxy-4-propylsulfanyl-phenyl)ethanamine. And the molecular formula of the chemical is C13H21NO2S.
The characteristics of this chemical are as followings: (1)ACD/LogP: 2.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.84 ; (4)#H bond acceptors: 3; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 8; (7)Polar Surface Area: 69.78 Å2; (8)Index of Refraction: 1.547; (9)Molar Refractivity: 74.26 cm3; (10)Molar Volume: 233.9 cm3; (11)Polarizability: 29.44×10-24cm3; (12)Surface Tension: 43.6 dyne/cm; (13)Density: 1.09 g/cm3; (14)Flash Point: 181.5 °C; (15)Enthalpy of Vaporization: 62.41 kJ/mol; (16)Boiling Point: 376.5 °C at 760 mmHg; (17)Vapour Pressure: 7.23E-06 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: COc1cc(SCCC)c(cc1CCN)OC
(2)InChI: InChI=1/C13H21NO2S/c1-4-7-17-13-9-11(15-2)10(5-6-14)8-12(13)16-3/h8-9H,4-7,14H2,1-3H3
(3)InChIKey: OLEVEPDJOFPJTF-UHFFFAOYAR
