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| CAS No.: | 18503-90-7 |
|---|---|
| Name: | 1,1-Dibutoxytrimethylamine |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C11H25NO2 |
| Molecular Weight: | 203.325 |
| Synonyms: | Trimethylamine,1,1-dibutoxy- (6CI,8CI);DMF-dibutyl acetal;Dimethylformamide dibutyl acetal;Formamide, N,N-dimethyl-, dibutyl acetal;N,N-Dimethylformamide dibutyl acetal; |
| EINECS: | 242-387-0 |
| Density: | 0.853 |
| Boiling Point: | 232.5 °C at 760 mmHg |
| Flash Point: | 53 ºC |
| Appearance: | clear brown |
| Hazard Symbols: |
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| Risk Codes: | R10;R36/37/38 |
| Safety: | 26-36 |
| Transport Information: | UN 1993 |
| PSA: | 21.70000 |
| LogP: | 2.46500 |
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Specification
The 1,1-Dibutoxytrimethylamine, with the cas registry number 18503-90-7, has the systematic name of 1,1-dibutoxy-N,N-dimethylmethanamine. Its product categories are various, including Analytical Chemistry; Esterification & Alkylation (GC Derivatizing Reagents); GC Derivatizing Reagents; N,N-Dimethylformamide Dialkylacetals (GC Derivatizing Reagents). The molecular formula of the chemical is C11H25NO2.
The characteristics of this chemical are as followings: (1)ACD/LogP: 3.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.75; (4)ACD/LogD (pH 7.4): 3.93; (5)ACD/BCF (pH 5.5): 378.43; (6)ACD/BCF (pH 7.4): 572.31; (7)ACD/KOC (pH 5.5): 2163; (8)ACD/KOC (pH 7.4): 3271.19; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.435; (14)Molar Refractivity: 60.18 cm3; (15)Molar Volume: 230.4 cm3; (16)Polarizability: 23.85×10-24cm3; (17)Surface Tension: 28.4 dyne/cm; (18)Density: 0.882 g/cm3; (19)Flash Point: 52.2 °C; (20)Enthalpy of Vaporization: 46.92 kJ/mol; (21)Boiling Point: 232.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0589 mmHg at 25°C.
You should be cautious while dealing with this chemical. It is a kind of flammable chemical and it irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable cloting, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(CCCC)C(OCCCC)N(C)C
(2)InChI: InInChI=1/C11H25NO2/c1-5-7-9-13-11(12(3)4)14-10-8-6-2/h11H,5-10H2,1-4H3
(3)InChIKey: GSFFXKGTGPMVLM-UHFFFAOYAK