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| CAS No.: | 110-96-3 |
|---|---|
| Name: | Diisobutylamine |
| Molecular Structure: | |
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|
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| Formula: | C8H19N |
| Molecular Weight: | 129.246 |
| Synonyms: | Diisobutylamine(6CI,8CI);Di-iso-butylamine;N,N-Bis(2-methylpropyl)amine; |
| EINECS: | 203-819-3 |
| Density: | 0.759 g/cm3 |
| Melting Point: | -77 °C |
| Boiling Point: | 140.5 °C at 760 mmHg |
| Flash Point: | 29.4 °C |
| Solubility: | 5 g/L (20 °C) in water |
| Appearance: | clear colorless liquid with an ammonia-like odor |
| Hazard Symbols: |
 C
|
| Risk Codes: | 10-22-34 |
| Safety: | 26-36/37/39-45-25-16 |
| Transport Information: | UN 2361 3/PG 3 |
| PSA: | 12.03000 |
| LogP: | 2.27890 |
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Specification
The IUPAC name of Diisobutylamine is 2-methyl-N-(2-methylpropyl)propan-1-amine. With the CAS registry number 110-96-3, it is also named as N,N-Bis(2-methylpropyl)amine. The product's categories are Amines; C8; Nitrogen Compounds. Besides, it is a clear colorless liquid with an ammonia-like odor, which should be sealed in a cool, ventilated warehouse. In addition, its molecular formula is C8H19N and molecular weight is 129.24.
The other characteristics of this product can be summarized as: (1)EINECS: 203-819-3; (2)ACD/LogP: 2.39; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -0.71; (5)ACD/LogD (pH 7.4): -0.61; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 1; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 4; (13)Index of Refraction: 1.415; (14)Molar Refractivity: 42.62 cm3; (15)Molar Volume: 170.1 cm3; (16)Surface Tension: 23.1 dyne/cm; (17)Density: 0.759 g/cm3; (18)Flash Point: 29.4 °C; (19)Melting point: -77 °C; (20)Enthalpy of Vaporization: 37.77 kJ/mol; (21)Boiling Point: 140.5 °C at 760 mmHg; (22)Water solubility: 5 g/L (20 °C); (23)Vapour Pressure: 6.12 mmHg at 25 °C.
Preparation of Diisobutylamine: this chemical can be prepared by bis-(1-benzotriazol-1-yl-2-methyl-propyl)-amine.
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This reaction needs LiAlH4 and tetrahydrofuran at ambient temperature for 30 min. The yield is 90 %.
Uses of Diisobutylamine: this chemical is used for the production of pesticides, corrosion inhibitor and rubber processing product as an intermediate. Additionally, it can react with chloroacetyl chloride to get chloro-acetic acid diisobutylamide.
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This reaction needs (C2H5)3N and CH2Cl2. The yield is 78 %.
When you are using this chemical, please be cautious about it as the following: it is flammable that may cause burns. Please keep away from sources of ignition. It is also harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection to avoid contact with eyes. Moreover, in case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CC(C)CNCC(C)C
(2)InChI: InChI=1S/C8H19N/c1-7(2)5-9-6-8(3)4/h7-9H,5-6H2,1-4H3
(3)InChIKey: NJBCRXCAPCODGX-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | oral | 620mg/kg (620mg/kg) | Hygiene and Sanitation Vol. 34(7-9), Pg. 426, 1969. | |
| mouse | LD50 | oral | 629mg/kg (629mg/kg) | Hygiene and Sanitation Vol. 34(7-9), Pg. 426, 1969. | |
| rat | LD50 | oral | 258mg/kg (258mg/kg) | Hygiene and Sanitation Vol. 34(7-9), Pg. 426, 1969. |