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CAS No.: | 25400-83-3 |
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Name: | 5-DIMETHYLAMINO-2-METHYL-3-PENTYN-2-OL |
Molecular Structure: | |
Formula: | C8H15NO |
Molecular Weight: | 141.213 |
Synonyms: | 5-(Dimethylamino)-2-methylpent-3-yn-2-ol;5-(Dimethylamino)-2-methyl-3-pentyn-2-ol;5-Dimethylamino-2-methyl-3-pentyn-2-ol; |
Density: | 0.949 g/cm3 |
Boiling Point: | 208.9 °C at 760 mmHg |
Flash Point: | 77.5 °C |
Hazard Symbols: | R36/38:Irritating to eyes and skin.; |
Risk Codes: | 36/38 |
Safety: | 26-36/37/39 |
PSA: | 23.47000 |
LogP: | 0.32230 |
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The 3-Pentyn-2-ol,5-(dimethylamino)-2-methyl-, with the CAS registry number 25400-83-3, is also known as 5-Dimethylamino-2-methyl-3-pentyn-2-ol. This chemical's molecular formula is C8H15NO and molecular weight is 141.21. What's more, its systematic name is 5-(dimethylamino)-2-methylpent-3-yn-2-ol. It should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides.
Physical properties of 3-Pentyn-2-ol,5-(dimethylamino)-2-methyl- are: (1)ACD/LogP: 0.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.13; (4)ACD/LogD (pH 7.4): 0.35; (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): 29.5; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.481; (14)Molar Refractivity: 42.33 cm3; (15)Molar Volume: 148.7 cm3; (16)Polarizability: 16.78×10-24cm3; (17)Surface Tension: 36.7 dyne/cm; (18)Density: 0.949 g/cm3; (19)Flash Point: 77.5 °C; (20)Enthalpy of Vaporization: 51.78 kJ/mol; (21)Boiling Point: 208.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0481 mmHg at 25°C.
Uses of 3-Pentyn-2-ol,5-(dimethylamino)-2-methyl-: it can be used to produce 1-dimethylamino-2,3-dichloro-4-methyl-2-penten-4-ol at the ambient temperature. It will need reagent Cl2 and solvent CCl4. The yield is about 96.4%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C#CCN(C)C)O
(2)InChI: InChI=1S/C8H15NO/c1-8(2,10)6-5-7-9(3)4/h10H,7H2,1-4H3
(3)InChIKey: VBARYRPUABJYGW-UHFFFAOYSA-N