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885277-42-9

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Basic Information
CAS No.: 885277-42-9
Name: PYRIDIN-3-YLMETHYL-(TETRAHYDRO-PYRAN-4-YL)-AMINE
Molecular Structure:
Molecular Structure of 885277-42-9 (PYRIDIN-3-YLMETHYL-(TETRAHYDRO-PYRAN-4-YL)-AMINE)
Formula: C11H16N2O
Molecular Weight: 192.26
Synonyms: N-(Tetrahydro-2H-pyran-4-yl)-3-pyridinemethanamine;
Density: 1.08 g/cm3
Boiling Point: 329.3 °C at 760 mmHg
Flash Point: 152.9 °C
PSA: 34.15000
LogP: 1.74110
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Specification

The systematic name of N-(Tetrahydro-2H-pyran-4-yl)-3-pyridinemethanamine is N-(pyridin-3-ylmethyl)tetrahydro-2H-pyran-4-amine. With the CAS registry number 885277-42-9, it is also named as 3-Pyridinemethanamine,N-(tetrahydro-2H-pyran-4-yl)-. The product's molecular formula is C11H16N2O and its molecular weight is 192.26. 

The other characteristics of N-(Tetrahydro-2H-pyran-4-yl)-3-pyridinemethanamine can be summarized as: (1)ACD/LogP: 0.19; (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): 7.58; (7)H bond acceptors: 3; (8)H bond donors: 1; (9)Freely Rotating Bonds: 3; (10)Polar Surface Area: 34.15 Å2; (11)Index of Refraction: 1.539; (12)Molar Refractivity: 55.66 cm3; (13)Molar Volume: 177.4 cm3; (14)Polarizability: 22.06×10-24cm3; (15)Surface Tension: 43.8 dyne/cm; (16)Density: 1.08 g/cm3; (17)Flash Point: 152.9 °C; (18)Enthalpy of Vaporization: 57.17 kJ/mol; (19)Boiling Point: 329.3 °C at 760 mmHg; (20)Vapour Pressure: 0.00018 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:C(NC1CCOCC1)c2cccnc2
(2)InChI:InChI=1/C11H16N2O/c1-2-10(8-12-5-1)9-13-11-3-6-14-7-4-11/h1-2,5,8,11,13H,3-4,6-7,9H2
(3)InChIKey:ATJWTRSJMKQBAB-UHFFFAOYAO
(4)Std. InChI:InChI=1S/C11H16N2O/c1-2-10(8-12-5-1)9-13-11-3-6-14-7-4-11/h1-2,5,8,11,13H,3-4,6-7,9H2
(5)Std. InChIKey:ATJWTRSJMKQBAB-UHFFFAOYSA-N