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174316-28-0

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Basic Information
CAS No.: 174316-28-0
Name: METHYL-(1-THIOPHEN-2-YL-ETHYL)-AMINE
Article Data: 2
Molecular Structure:
Molecular Structure of 174316-28-0 (METHYL-(1-THIOPHEN-2-YL-ETHYL)-AMINE)
Formula: C7H11NS
Molecular Weight: 141.237
Synonyms: N-Methyl-1-(thiophen-2-yl)ethanamine;Methyl-(1-thiophen-2-yl-ethyl)-amine;Methyl[1-(thiophen-2-yl)ethyl]amine;N-Methyl-1-(thiophen-2-yl)ethanamine;
Density: 1.024 g/cm3
Boiling Point: 187.1 °C at 760 mmHg
Flash Point: 66.9 °C
PSA: 40.27000
LogP: 2.41940
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Specification

The 2-Thiophenemethanamine, N,α-dimethyl-, with the CAS registry number 174316-28-0, is also known as Methyl[1-(thiophen-2-yl)ethyl]amine. This chemical's molecular formula is C7H11NS and molecular weight is 141.23. What's more, its systematic name is N-methyl-1-(thiophen-2-yl)ethanamine.

Physical properties of 2-Thiophenemethanamine, N,α-dimethyl- are: (1)ACD/LogP: 1.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.46; (4)ACD/LogD (pH 7.4): -0.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 2.53; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 31.48 Å2; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 42.41 cm3; (15)Molar Volume: 137.8 cm3; (16)Polarizability: 16.81×10-24cm3; (17)Surface Tension: 34.2 dyne/cm; (18)Density: 1.024 g/cm3; (19)Flash Point: 66.9 °C; (20)Enthalpy of Vaporization: 42.33 kJ/mol; (21)Boiling Point: 187.1 °C at 760 mmHg; (22)Vapour Pressure: 0.642 mmHg at 25°C.

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