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| CAS No.: | 150285-07-7 |
|---|---|
| Name: | TERT-AMYL-TERT-OCTYLAMINE |
| Molecular Structure: | |
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| Formula: | C13H29N |
| Molecular Weight: | 199.38 |
| Synonyms: | Tert-amyl-tert-octylamine; |
| Density: | 0.791 g/cm3 |
| Melting Point: | 18°C (estimate) |
| Boiling Point: | 229.3 °C at 760 mmHg |
| Flash Point: | 72.4 °C |
| Appearance: | UN 2735 8/PG 3 |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 12.03000 |
| LogP: | 4.37030 |
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Specification
The CAS register number of 2-Heptanamine,N-(1,1-dimethylpropyl)-2-methyl- is 150285-07-7. It also can be called as Tert-amyl-tert-octylamine and the systematic name about this chemical is N-(1,1-dimethylpropyl)-2-methylheptan-2-amine. The molecular formula about this chemical is C13H29N and the molecular weight is 199.38.
Physical properties about 2-Heptanamine,N-(1,1-dimethylpropyl)-2-methyl- are: (1)ACD/LogP: 4.68; (2)ACD/LogD (pH 5.5): 1.58; (3)ACD/LogD (pH 7.4): 1.64; (4)ACD/BCF (pH 5.5): 1.7; (5)ACD/BCF (pH 7.4): 1.95; (6)ACD/KOC (pH 5.5): 6.69; (7)ACD/KOC (pH 7.4): 7.68; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 3.24 Å2; (12)Index of Refraction: 1.435; (13)Molar Refractivity: 65.8 cm3; (14)Molar Volume: 252 cm3; (15)Polarizability: 26.08x10-24cm3; (16)Surface Tension: 25.7 dyne/cm; (17)Density: 0.791 g/cm3; (18)Flash Point: 72.4 °C; (19)Enthalpy of Vaporization: 46.59 kJ/mol; (20)Boiling Point: 229.3 °C at 760 mmHg; (21)Vapour Pressure: 0.0701 mmHg at 25 °C.
Preparation: this chemical can be prepared by 3-(1.1.3.3-Tetramethyl-butylamino)-3-methyl-1-butin. This reaction is a kind of hydrogenolysis and catalytic hydrogenation. This reaction will need reagent of H2 and catalytic agent of 5 percent Pd/C. The reaction needs various solvents and the reaction pressure is 2947.74. The yield is about 60%.
-2-methyl-.jpg)
Uses of 2-Heptanamine,N-(1,1-dimethylpropyl)-2-methyl-: it can be used to produce tert-Octyl-tert-pentylnitroxyl. This reaction is a kind of oxidation. This reaction will need reagents of tert-butyl hydroperoxide, MoO3, Mo(CO)6 and solvent of 1,2-dichloro-ethane. The reaction time is 3 weeks with reaction temperature of 23 - 82 °C. The yield is about 40%.
-2-methyl-.jpg)
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin and it may cause inflammation to the skin or other mucous membranes. If you want to use it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. It is stable under normal temperature and pressure. If you want to store it, you should keep the container tightly sealed in dry, cool places avoid contact with strong oxidants.
You can still convert the following datas into molecular structure:
(1)SMILES: N(C(CC)(C)C)C(CCCCC)(C)C
(2)InChI: InChI=1/C13H29N/c1-7-9-10-11-13(5,6)14-12(3,4)8-2/h14H,7-11H2,1-6H3
(3)InChIKey: JLYYUTGQVZJZRQ-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C13H29N/c1-7-9-10-11-13(5,6)14-12(3,4)8-2/h14H,7-11H2,1-6H3
(5)Std. InChIKey: JLYYUTGQVZJZRQ-UHFFFAOYSA-N.