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| CAS No.: | 176445-80-0 |
|---|---|
| Name: | 4-(Aminomethyl)-N,N-dimethyltetrahydro-2H-pyran-4-amine |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C8H18N2O |
| Molecular Weight: | 158.244 |
| Synonyms: | 4-(Aminomethyl)-N,N-dimethyloxan-4-amine; |
| Density: | 0.99 g/cm3 |
| Boiling Point: | 231.952 °C at 760 mmHg |
| Flash Point: | 94.082 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | C:Corrosive; ">  C:Corrosive; |
| PSA: | 38.49000 |
| LogP: | 0.75620 |
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Specification
The 2H-Pyran-4-methanamine, 4-(dimethylamino)tetrahydro-, with the CAS registry number 176445-80-0, is also known as 4-(Aminomethyl)-N, N-dimethyltetrahydro-2H-pyran-4-amine. This chemical's molecular formula is C8H18N2O and molecular weight is 158.24132. What's more, its IUPAC name is 4-(Aminomethyl)-N, N-dimethyloxan-4-amine. In addition, this chemical may destroy living tissue.
Physical properties about 2H-Pyran-4-methanamine, 4-(dimethylamino)tetrahydro- are: (1)ACD/LogP: -0.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4; (4)ACD/LogD (pH 7.4): -3; (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: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.49 Å2; (13)Index of Refraction: 1.493; (14)Molar Refractivity: 46.294 cm3; (15)Molar Volume: 159.427 cm3; (16)Polarizability: 18.352×10-24 cm3; (17)Surface Tension: 37.121 dyne/cm; (18)Density: 0.993 g/cm3; (19)Flash Point: 94.082 °C; (20)Enthalpy of Vaporization: 46.863 kJ/mol; (21)Boiling Point: 231.952 °C at 760 mmHg; (22)Vapour Pressure: 0.061 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O1CCC(N(C)C)(CN)CC1
(2) InChI: InChI=1/C8H18N2O/c1-10(2)8(7-9)3-5-11-6-4-8/h3-7,9H2,1-2H3
(3) InChIKey: KCLFWPREWYWLTP-UHFFFAOYAA