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869901-11-1

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Basic Information
CAS No.: 869901-11-1
Name: N-METHYL-N-[(2-MORPHOLIN-4-YLPYRIDIN-4-YL)METHYL]AMINE
Molecular Structure:
Molecular Structure of 869901-11-1 (N-METHYL-N-[(2-MORPHOLIN-4-YLPYRIDIN-4-YL)METHYL]AMINE)
Formula: C11H17N3O
Molecular Weight: 207.27
Synonyms: N-METHYL-N-[(2-MORPHOLIN-4-YLPYRIDIN-4-YL)METHYL]AMINE;N-Methyl-N-[(2-morpholin-4-ylpyridin-4-yl)methyl]amine 97%;4-[(Methylamino)methyl]-2-morpholin-4-ylpyridine;N-Methyl-1-[2-(morpholin-4-yl)pyridin-4-yl]methylamine
Density: 1.104 g/cm3
Boiling Point: 377.2 °C at 760 mmHg
Flash Point: 181.9 °C
Hazard Symbols: CorrosiveC
PSA: 37.39000
LogP: 1.09350
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Specification

The 4-Pyridinemethanamine,N-methyl-2-(4-morpholinyl)-, with CAS registry number 869901-11-1, has the systematic name of N-methyl-1-(2-morpholin-4-ylpyridin-4-yl)methanamine. Besides this, it is also called N-Methyl-N-[(2-Morpholin-4-ylpyridin-4-yl)methyl]amine. And the chemical formula of this chemical is C11H17N3O.

Physical properties of 4-Pyridinemethanamine,N-methyl-2-(4-morpholinyl)-: (1)ACD/LogP: -0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.05; (4)ACD/LogD (pH 7.4): -1.53; (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): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 28.6 Å2; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 59.29 cm3; (15)Molar Volume: 187.6 cm3; (16)Polarizability: 23.5×10-24cm3; (17)Surface Tension: 44 dyne/cm; (18)Density: 1.104 g/cm3; (19)Flash Point: 181.9 °C; (20)Enthalpy of Vaporization: 62.49 kJ/mol; (21)Boiling Point: 377.2 °C at 760 mmHg; (22)Vapour Pressure: 6.87E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1ccc(cc1N2CCOCC2)CNC
(2)InChI: InChI=1/C11H17N3O/c1-12-9-10-2-3-13-11(8-10)14-4-6-15-7-5-14/h2-3,8,12H,4-7,9H2,1H3
(3)InChIKey: XXFBCDNRFJGAPO-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C11H17N3O/c1-12-9-10-2-3-13-11(8-10)14-4-6-15-7-5-14/h2-3,8,12H,4-7,9H2,1H3
(5)Std. InChIKey: XXFBCDNRFJGAPO-UHFFFAOYSA-N