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854697-78-2

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Basic Information
CAS No.: 854697-78-2
Name: 1-(OXAN-4-YL)ETHAN-1-AMINE
Article Data: 14
Molecular Structure:
Molecular Structure of 854697-78-2 (1-(OXAN-4-YL)ETHAN-1-AMINE)
Formula: C7H15NO
Molecular Weight: 129.202
Synonyms: 1-(Tetrahydro-2H-pyran-4-yl)ethanamine;
Density: 0.944 g/cm3
Boiling Point: 192.6 °C at 760 mmHg
Flash Point: 67.9 °C
PSA: 35.25000
LogP: 1.46050
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Specification

The 1-(Tetrahydropyran-4-yl)-ethylamine has CAS registry number 854697-78-2. This chemical's molecular formula is C7H15NO and molecular weight is 129.12. What's more, its systematic name is 1-(Tetrahydro-2H-pyran-4-yl)ethanamine.

Physical properties about 1-(Tetrahydropyran-4-yl)-ethylamine are: (1)ACD/LogP: 0.12; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 35.25 Å2; (11)Index of Refraction: 1.459; (12)Molar Refractivity: 37.43 cm3; (13)Molar Volume: 136.7 cm3; (14)Polarizability: 14.83×10-24 cm3; (15)Surface Tension: 32.5 dyne/cm; (16)Density: 0.944 g/cm3; (17)Flash Point: 67.9 °C; (18)Enthalpy of Vaporization: 42.88 kJ/mol; (19)Boiling Point: 192.6 °C at 760 mmHg; (20)Vapour Pressure: 0.484 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(N)C1CCOCC1
(2) InChI: InChI=1S/C7H15NO/c1-6(8)7-2-4-9-5-3-7/h6-7H,2-5,8H2,1H3
(3) InChIKey: WMPAKQDIADKRAQ-UHFFFAOYSA-N