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| CAS No.: | 13330-96-6 |
|---|---|
| Name: | 4-DIMETHYLAMINO-1-BUTANOL |
| Article Data: | 28 |
| Molecular Structure: | |
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|
|
| Formula: | C6H15NO |
| Molecular Weight: | 117.191 |
| Synonyms: | 4-(Dimethylamino)-1-butanol;4-(Dimethylamino)butanol;N,N-Dimethyl-4-aminobutanol;NSC 165645; |
| EINECS: | 236-380-1 |
| Density: | 0.885 g/cm3 |
| Boiling Point: | 164 °C at 760 mmHg |
| Flash Point: | 45.7 °C |
| Appearance: | clear liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 2735 8/PG 3 |
| PSA: | 23.47000 |
| LogP: | 0.32050 |
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Specification
The CAS register number of 1-Butanol,4-(dimethylamino)- is 13330-96-6. It also can be called as N,N-Dimethyl-4-aminobutanol and the IUPAC name about this chemical is 4-(dimethylamino)butan-1-ol. The molecular formula about this chemical is C6H15NO and the molecular weight is 117.19. It belongs to the following product categories which include Amino Alcohols; Organic Building Blocks; Oxygen Compounds and so on.
Physical properties about 1-Butanol,4-(dimethylamino)- are: (1)ACD/LogP: -0.05; (2)ACD/LogD (pH 5.5): -3.09; (3)ACD/LogD (pH 7.4): -2.07; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 12.47 Å2; (12)Index of Refraction: 1.443; (13)Molar Refractivity: 35.1 cm3; (14)Molar Volume: 132.3 cm3; (15)Polarizability: 13.91x10-24cm3; (16)Surface Tension: 31.4 dyne/cm; (17)Density: 0.885 g/cm3; (18)Flash Point: 45.7 °C; (19)Enthalpy of Vaporization: 46.64 kJ/mol; (20)Boiling Point: 164 °C at 760 mmHg; (21)Vapour Pressure: 0.682 mmHg at 25 °C.
Preparation: this chemical can be prepared by dimethylamine and 4-chloro-butan-1-ol. This reaction will need solvent of acetonitrile. The reaction temperature is 60 °C. The yield is about 70%.
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Uses of 1-Butanol,4-(dimethylamino)-: it can be used to produce 4-hydroxybutyltrimethylammonium tosylate with toluene-4-sulfonic acid methyl ester. This reaction will need solvent of toluene. The reaction time is 1.5 hours with ambient temperature. The yield is about 92%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact. It can cause burns. If you want to use this chemical, wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: OCCCCN(C)C
(2)InChI: InChI=1/C6H15NO/c1-7(2)5-3-4-6-8/h8H,3-6H2,1-2H3
(3)InChIKey: QCTOLMMTYSGTDA-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C6H15NO/c1-7(2)5-3-4-6-8/h8H,3-6H2,1-2H3
(5)Std. InChIKey: QCTOLMMTYSGTDA-UHFFFAOYSA-N