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81289-15-8

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Basic Information
CAS No.: 81289-15-8
Name: 1-Methyl-1-thiophen-2-yl-ethylaMine
Molecular Structure:
Molecular Structure of 81289-15-8 (1-Methyl-1-thiophen-2-yl-ethylaMine)
Formula: C7H11NS
Molecular Weight: 141.237
Synonyms: 2-(2-Thienyl)propan-2-amine;
Density: 1.064 g/cm3
Boiling Point: 207.023 °C at 760 mmHg
Flash Point: 79.005 °C
PSA: 54.26000
LogP: 2.64220
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Specification

The 2-Thiophenemethanamine, a,a-dimethyl-, with the CAS registry number 81289-15-8, is also known as 2-(2-Thienyl)propan-2-amine. This chemical's molecular formula is C7H11NS and molecular weight is 141.23. What's more, both its IUPAC name and systematic name are the same which is called 2-(2-Thienyl)-2-propanamine.

Physical properties about 2-Thiophenemethanamine, a,a-dimethyl- are: (1)ACD/LogP: 1.947; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.06; (4)ACD/LogD (pH 7.4): 0.12; (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): 4.09; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.26 Å2; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 41.927 cm3; (15)Molar Volume: 132.771 cm3; (16)Polarizability: 16.621×10-24cm3; (17)Surface Tension: 37.120 dyne/cm; (18)Density: 1.064 g/cm3; (19)Flash Point: 79.005 °C; (20)Enthalpy of Vaporization: 44.327 kJ/mol; (21)Boiling Point: 207.023 °C at 760 mmHg; (22)Vapour Pressure: 0.230 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: s1c(ccc1)C(N)(C)C
(2) InChI: InChI=1S/C7H11NS/c1-7(2,8)6-4-3-5-9-6/h3-5H,8H2,1-2H3
(3) InChIKey: JYFAHQAWCKSUOU-UHFFFAOYSA-N