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CAS No.: | 27404-31-5 |
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Name: | 2-BENZO[B]FURAN-3-YLETHYLAMINE |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C10H11NO |
Molecular Weight: | 161.203 |
Synonyms: | 2-(1-Benzofuran-3-yl)ethylamine;2-(3-Benzo[b]furanyl)ethylamine;2-(Benzofuran-3-yl)ethylamine;3-Benzofuranethylamine(8CI); |
Density: | 1.129 g/cm3 |
Melting Point: | 183-185 °C |
Boiling Point: | 268.529 °C at 760 mmHg |
Flash Point: | 116.202 °C |
PSA: | 39.16000 |
LogP: | 2.63430 |
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The 3-Benzofuranethanamine, with the CAS registry number 27404-31-5, is also known as 2-(3-Benzo[b]furanyl)ethylamine. This chemical's molecular formula is C10H11NO and molecular weight is 161.2. What's more, its IUPAC name is 2-(1-benzofuran-3-yl)ethanamine.
Physical properties of 3-Benzofuranethanamine are: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/KOC (pH 5.5): 1; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 39.16 Å2; (9)Index of Refraction: 1.609; (10)Molar Refractivity: 49.48 cm3; (11)Molar Volume: 142.839 cm3; (12)Surface Tension: 45.372 dyne/cm; (13)Density: 1.129 g/cm3; (14)Flash Point: 116.202 °C; (15)Enthalpy of Vaporization: 50.661 kJ/mol; (16)Boiling Point: 268.529 °C at 760 mmHg; (17)Vapour Pressure: 0.008 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=CO2)CCN
(2)InChI: InChI=1S/C10H11NO/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7H,5-6,11H2
(3)InChIKey: NEHYFMQXSNIAMZ-UHFFFAOYSA-N