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| CAS No.: | 13987-61-6 |
|---|---|
| Name: | TERT-BUTYLAZOMETHINE |
| Molecular Structure: | |
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| Formula: | C5H11N |
| Molecular Weight: | 85.149 |
| Synonyms: | Ethylamine,1,1-dimethyl-N-methylene- (6CI,7CI,8CI);N-Methylene-tert-butylamine;N-Methylidene-tert-butylamine;N-tert-Butylazomethine;tert-Butylazomethine;tert-Butylformaldimine;tert-Butylmethyleneamine; |
| EINECS: | 237-781-4 |
| Density: | 0.71 g/cm3 |
| Boiling Point: | 87.1 °C at 760 mmHg |
| Flash Point: | -3℃ |
| PSA: | 12.36000 |
| LogP: | 1.48550 |
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Specification
The 2-Propanamine,2-methyl-N-methylene-, with the CAS registry number 13987-61-6 and EINECS registry number 237-781-4, has the systematic name of 2-methyl-N-methylidenepropan-2-amine. It is a kind of organics, and should be stored at dry and cool environment. And the molecular formula of this chemical is C5H11N.
The physical properties of 2-Propanamine,2-methyl-N-methylene- are as followings: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.64; (4)ACD/LogD (pH 7.4): 1.96; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 16.28; (7)ACD/KOC (pH 5.5): 10.64; (8)ACD/KOC (pH 7.4): 223.49; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.36 Å2; (13)Index of Refraction: 1.393; (14)Molar Refractivity: 28.42 cm3; (15)Molar Volume: 118.9 cm3; (16)Polarizability: 11.27×10-24cm3; (17)Surface Tension: 20.1 dyne/cm; (18)Density: 0.71 g/cm3; (19)Enthalpy of Vaporization: 31.37 kJ/mol; (20)Boiling Point: 87.1 °C at 760 mmHg; (21)Vapour Pressure: 72.7 mmHg at 25°C.
Preparation of 2-Propanamine,2-methyl-N-methylene-: This chemical can be prepared by tert-butylamine and formaldehyde. The reaction will need the solvent H2O. The reaction time is 0.5 hours with temperature of 40°C, and the yield is about 92%.
Uses of 2-Propanamine,2-methyl-N-methylene-: It can react with acetamide to produce N-{[(acetylamino-methyl)-tert-butyl-amino]-methyl}-acetamide. The reaction time is 3 hours with heating, and the yield is about 94%.
![2-Propanamine,2-methyl-N-methylene- can react with acetamide to produce N-{[(acetylamino-methyl)-tert-butyl-amino]-methyl}-acetamide](/UserFilesUpload/Uses of 2-Propanamine,2-methyl-N-methylene-.jpg)
You can still convert the following datas into molecular structure:
(1)SMILES: N(=C)\C(C)(C)C
(2)InChI: InChI=1/C5H11N/c1-5(2,3)6-4/h4H2,1-3H3
(3)InChIKey: RSUCYDXEFFBUSN-UHFFFAOYAE
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LCLo | inhalation | 1610mg/m3/4H (1610mg/m3) | LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | National Technical Information Service. Vol. OTS0533856, |