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CAS No.: | 183275-87-8 |
---|---|
Name: | BENZYL-(TETRAHYDRO-FURAN-2-YLMETHYL)-AMINE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C12H17NO |
Molecular Weight: | 191.273 |
Synonyms: | N-Benzyltetrahydrofurfurylamine;SPECS AG-390/25100008;Benzyl-(tetrahydro-furan-2-ylmethyl)-amine; |
Density: | 1.023 g/cm3 |
Boiling Point: | 294.1 °C at 760 mmHg |
Flash Point: | 118.8 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
PSA: | 21.26000 |
LogP: | 2.34610 |
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The CAS register number of 2-Furanmethanamine,tetrahydro-N-(phenylmethyl)- is 183275-87-8. It also can be called as Benzyl-(tetrahydro-furan-2-ylmethyl)-amine and the systematic name about this chemical is 1-phenyl-N-(tetrahydrofuran-2-ylmethyl)methanamine. The molecular formula about this chemical is C12H17NO and the molecular weight is 191.27. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 2-Furanmethanamine,tetrahydro-N-(phenylmethyl)- are: (1)ACD/LogP: 1.58; (2)ACD/LogD (pH 5.5): -1.27; (3)ACD/LogD (pH 7.4): 0.27; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 8.38; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 12.47 Å2; (12)Index of Refraction: 1.527; (13)Molar Refractivity: 57.46 cm3; (14)Molar Volume: 186.8 cm3; (15)Polarizability: 22.77x10-24cm3; (16)Surface Tension: 39.6 dyne/cm; (17)Density: 1.023 g/cm3; (18)Flash Point: 118.8 °C; (19)Enthalpy of Vaporization: 53.37 kJ/mol; (20)Boiling Point: 294.1 °C at 760 mmHg; (21)Vapour Pressure: 0.00166 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O2C(CNCc1ccccc1)CCC2
(2)InChI: InChI=1/C12H17NO/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h1-3,5-6,12-13H,4,7-10H2
(3)InChIKey: HKJDMUFGBWLGAV-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C12H17NO/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h1-3,5-6,12-13H,4,7-10H2
(5)Std. InChIKey: HKJDMUFGBWLGAV-UHFFFAOYSA-N