CAS No.439081-52-4,METHYL-(TETRAHYDRO-PYRAN-4-YLMETHYL)-AMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	439081-52-4
Name:	METHYL-(TETRAHYDRO-PYRAN-4-YLMETHYL)-AMINE

Formula:	C₇H₁₅NO
Molecular Weight:	129.202
Synonyms:	4-[(Methylamino)methyl]tetrahydropyran;
Density:	0.897 g/cm³
Boiling Point:	179.803 °C at 760 mmHg
Flash Point:	65.056 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	21.26000
LogP:	1.02330

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Specification

The 2H-Pyran-4-methanamine, tetrahydro-N-methyl-, with the CAS registry number of 439081-52-4, is also known as Methyl-(tetrahydropyran-4-ylmethyl)amine. It belongs to the product categories of Aminomethyl's; Pyrans, Piperidines & Piperazines; Pharmaceutical Intermediate. This chemical's molecular formula is C₇H₁₅NO and molecular weight is 129.2. What's more, its systematic name is called N-Methyl-1-(tetrahydro-2H-pyran-4-yl)methanamine.

Physical properties about 2H-Pyran-4-methanamine, tetrahydro-N-methyl- are: (1)ACD/LogP: 0.33; (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)Surface Tension: 30.056 dyne/cm; (15)Density: 0.898 g/cm³; (16)Flash Point: 65.056 °C; (17)Enthalpy of Vaporization: 41.608 kJ/mol; (18)Boiling Point: 179.803 °C at 760 mmHg; (19)Vapour Pressure: 0.924 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CNCC1CCOCC1
(2) InChI: InChI=1/C7H15NO/c1-8-6-7-2-4-9-5-3-7/h7-8H,2-6H2,1H3
(3) InChIKey: WMBCUXKYKVTJRF-UHFFFAOYAQ