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CAS No.: | 37798-08-6 |
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Name: | 1-BENZOFURAN-5-YLMETHYLAMINE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C9H9NO |
Molecular Weight: | 147.177 |
Synonyms: | ((Benzo[b]furan-5-yl)methyl)amine;(Benzofuran-5-ylmethyl)amine;5-(Aminomethyl)benzofuran;1-Benzofuran-5-ylmethylamine; |
Density: | 1.164 g/cm3 |
Melting Point: | 32-34°C |
Boiling Point: | 254.3 °C at 760 mmHg |
Flash Point: | 107.6 °C |
Hazard Symbols: | C |
Risk Codes: | 34 |
Safety: | 26-36/37/39-45 |
PSA: | 39.16000 |
LogP: | 2.59180 |
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The 5-Benzofuranmethanamine, with CAS registry number 37798-08-6, belongs to the following product category: Furan & Benzofuran. It has the systematic name of 1-(1-benzofuran-5-yl)methanamine. This chemical is a kind of white to light yellow crystal powder. And the chemical formula of this chemical is C9H9NO.
Physical properties of 5-Benzofuranmethanamine: (1)ACD/LogP: 1.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.48; (4)ACD/LogD (pH 7.4): -0.32; (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): 2.25; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 16.38 Å2; (13)Index of Refraction: 1.628; (14)Molar Refractivity: 44.84 cm3; (15)Molar Volume: 126.3 cm3; (16)Polarizability: 17.77×10-24cm3; (17)Surface Tension: 47 dyne/cm; (18)Density: 1.164 g/cm3; (19)Flash Point: 107.6 °C; (20)Enthalpy of Vaporization: 49.18 kJ/mol; (21)Boiling Point: 254.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0174 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 5-Benzofuranmethanamine may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: o2c1ccc(cc1cc2)CN
(2)InChI: InChI=1/C9H9NO/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5H,6,10H2
(3)InChIKey: OFMIMSPBHXZKRI-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C9H9NO/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5H,6,10H2
(5)Std. InChIKey: OFMIMSPBHXZKRI-UHFFFAOYSA-N