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| CAS No.: | 36805-97-7 |
|---|---|
| Name: | 1,1-Di-tert-butoxytrimethylamine |
| Molecular Structure: | |
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| Formula: | C11H25NO2 |
| Molecular Weight: | 203.325 |
| Synonyms: | Trimethylamine,1,1-di-tert-butoxy- (7CI);1,1-Di-tert-butoxy-N,N-dimethylmethaneamine;DMFdi-tert-butyl acetal;Di-tert-butoxymethyldimethylamine;Di-tert-butyldimethylformamide acetal;Dimethylformamide di-tert-butyl acetal;N,N-DMFdi-tert-butyl acetal;N,N-Dimethylformamide di-tert-butyl acetal; |
| EINECS: | 253-222-7 |
| Density: | 0.882 g/cm3 |
| Boiling Point: | 175.2 °C at 760 mmHg |
| Flash Point: | 33.9 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 10-36/37/38 |
| Safety: | 26-36 |
| Transport Information: | UN 1993 3/PG 3 |
| PSA: | 21.70000 |
| LogP: | 2.46180 |
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Specification
The 1,1-Di-tert-butoxytrimethylamine with the cas number 36805-97-7 is also called Methanamine,1,1-bis(1,1-dimethylethoxy)-N,N-dimethyl-. The IUPAC name is N,N-dimethyl-1,1-bis[(2-methylpropan-2-yl)oxy]methanamine. Its EINECS registry number is 253-222-7. The molecular formula is C11H25NO2. This chemical belongs to the following product categories: (1)Analytical Chemistry; (2)Esterification & Alkylation (GC Derivatizing Reagents); (3)GC Derivatizing Reagents; (4)N,N-Dimethylformamide Dialkylacetals (GC Derivatizing Reagents).
The properties of the chemical are: (1)ACD/LogP: 3.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.98; (4)ACD/LogD (pH 7.4): 3.2; (5)ACD/BCF (pH 5.5): 95.09; (6)ACD/BCF (pH 7.4): 158.76; (7)ACD/KOC (pH 5.5): 782.09; (8)ACD/KOC (pH 7.4): 1305.68; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.434; (14)Molar Refractivity: 60.11 cm3; (15)Molar Volume: 230.5 cm3; (16)Polarizability: 23.83×10-24cm3; (17)Surface Tension: 26.3 dyne/cm; (18)Enthalpy of Vaporization: 41.15 kJ/mol; (19)Vapour Pressure: 1.16 mmHg at 25°C.
While using this chemical, you should be very cautious. This chemical is flammable. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O(C(C)(C)C)C(OC(C)(C)C)N(C)C
(2)InChI: InChI=1/C11H25NO2/c1-10(2,3)13-9(12(7)8)14-11(4,5)6/h9H,1-8H3
(3)InChIKey: DBNQIOANXZVWIP-UHFFFAOYAP