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7179-97-7

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Basic Information
CAS No.: 7179-97-7
Name: METHYL-(TETRAHYDRO-PYRAN-3-YLMETHYL)-AMINE
Molecular Structure:
Molecular Structure of 7179-97-7 (METHYL-(TETRAHYDRO-PYRAN-3-YLMETHYL)-AMINE)
Formula: C7H15NO
Molecular Weight: 129.202
Synonyms: N-Methyl-1-tetrahydropyran-3-yl-methanamine;Methyl(oxan-3-ylmethyl)amine;Methyl-(tetrahydro-pyran-3-ylmethyl)-amine;
Density: 0.898 g/cm3
Melting Point: 158 °C
Boiling Point: 179.803 °C at 760 mmHg
Flash Point: 65.056 °C
PSA: 21.26000
LogP: 1.02330
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Specification

The 2H-Pyran-3-methanamine, tetrahydro-N-methyl-, with the CAS registry number 7179-97-7, is also known as Methyl-(tetrahydro-pyran-3-ylmethyl)-amine. This chemical's molecular formula is C7H15NO and molecular weight is 129.2. What's more, its systematic name is N-methyl-1-tetrahydropyran-3-yl-methanamine.

Physical properties of 2H-Pyran-3-methanamine, tetrahydro-N-methyl- are: (1)ACD/LogP: 0.24; (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: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 21.26 Å2; (11)Index of Refraction: 1.436; (12)Molar Refractivity: 37.585 cm3; (13)Molar Volume: 143.885 cm3; (14)Polarizability: 14.9×10-24cm3; (15)Surface Tension: 30.056 dyne/cm; (16)Density: 0.898 g/cm3; (17)Flash Point: 65.056 °C; (18)Enthalpy of Vaporization: 41.608 kJ/mol; (19)Boiling Point: 179.803 °C at 760 mmHg; (20)Vapour Pressure: 0.924 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CNCC1CCCOC1
(2)InChI: InChI=1S/C7H15NO/c1-8-5-7-3-2-4-9-6-7/h7-8H,2-6H2,1H3
(3)InChIKey: SFDNBVAIWWHHQN-UHFFFAOYSA-N