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| CAS No.: | 801156-47-8 |
|---|---|
| Name: | 2-Thiopheneethanamine, N,α-dimethyl- |
| Molecular Structure: | |
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| Formula: | C8H13NS |
| Molecular Weight: | 155.26 |
| Synonyms: | N-Methyl-1-(thiophen-2-yl)propan-2-amine;2-Thiopheneethylamine, N,α-dimethyl- (8CI);1-(Thiophen-2-yl)-2-methylaminopropane; |
| Density: | 1.008 g/cm3 |
| Boiling Point: | 215.8 °C at 760 mmHg |
| Flash Point: | 84.3 °C |
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Specification
The 2-Thiopheneethanamine, N,α-dimethyl-, with the CAS registry number 801156-47-8, is also known as 1-(Thiophen-2-yl)-2-methylaminopropane. This chemical's molecular formula is C8H13NS and molecular weight is 155.26. What's more, its systematic name is N-methyl-1-(thiophen-2-yl)propan-2-amine. It is a thiophene-based structural analog of methamphetamine originally reported in 1942. Its pharmacological effects include mild euphoria, increased alertness, energy and sexual arousal.
Physical properties of 2-Thiopheneethanamine, N,α-dimethyl- are: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0\; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 31.48 Å2; (7)Index of Refraction: 1.522; (8)Molar Refractivity: 47 cm3; (9)Molar Volume: 153.9 cm3; (10)Polarizability: 18.63×10-24cm3; (11)Surface Tension: 34 dyne/cm; (12)Density: 1.008 g/cm3; (13)Flash Point: 84.3 °C; (14)Enthalpy of Vaporization: 45.21 kJ/mol; (15)Boiling Point: 215.8 °C at 760 mmHg; (16)Vapour Pressure: 0.145 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: s1c(ccc1)CC(NC)C
(2)Std. InChI: InChI=1S/C8H13NS/c1-7(9-2)6-8-4-3-5-10-8/h3-5,7,9H,6H2,1-2H3
(3)Std. InChIKey: HPHUWHKFQXTZPS-UHFFFAOYSA-N