1,1-디부톡시트리메틸아민
1,1-디부톡시트리메틸아민 · SKL1152 · 1,1-DIBUTOXYTRIMETHYLAMINE · dibutoxymethyl(dimethyl)amine · α,α-Dibutoxy-N,N-dimethylmethanamine · 1,1-Dibutoxy-N,N-dimethylmethanamine · 1,1-DIBUTOXY-N,N-DIMETHYLMETHYLAMINE · N,N-DIMETHYLFORMAMIDE DIBUTYL ACETAL
식별자 및 물리적 특성
| CAS No. | 18503-90-7 |
|---|---|
| 분자식 | C11H25NO2 |
| 평균 분자량 | 203.32 g/mol |
| 단동위원소 질량 | 203.18852904 g/mol |
| SMILES | CCCCOC(OCCCC)N(C)C |
| InChIKey | GSFFXKGTGPMVLM-UHFFFAOYSA-N |
| PubChem CID | 87683 |
| EC No. | 242-387-0 |
| DTXSID | DTXSID80171702 |
| 현지명 | 1,1-디부톡시트리메틸아민 |
화학 및 물리적 성질
| XLogP | 2.7 |
|---|---|
| 극성 표면적 | 21.7 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 9 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 108 |
| 끓는 점 | 93 °C12 mm Hg(lit.) |
| 밀도 | 0.853 g/mL at 20 °C(lit.) |
| 굴절률 | n20/D 1.417 |
| 인화점 | 53°C |
| pKa(산도 계수) | 5.22±0.50(Predicted) |
| 물리적 상태 | 투명한 액체 |
| 색상 | 무색 내지 거의 무색 |
| 비중 | 0.852 |
| BRN | 1098693 |
| InChI | InChI=1S/C11H25NO2/c1-5-7-9-13-11(12(3)4)14-10-8-6-2/h11H,5-10H2,1-4H3 |
| InChIKey | GSFFXKGTGPMVLM-UHFFFAOYSA-N |
| SMILES | C(OCCCC)(OCCCC)N(C)C |
안전 및 규제
| GHS 분류 | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | UN 1993 3/PG 3 |
| 관세 코드 | 2924.19.8000 |
| 위험 문구(R) | 10-36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| 포장분류 | III |
| 위험 등급 | 3.2Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 3 - Flammable liquids |
용도
용도
N,N-Dimethylformamide dibutyl acetal is the suitable reagent used for the simultaneous quantification of cocaine and its primary metabolite, benzoyl ecgonine, from a urine matrix by gas-chromatography. It may be used as reagent for the esterification of fatty acids.
일반 설명
N,N-Dimethylformamide dibutyl acetal (1,1-Dibutoxytrimethylamine, 1,1-Dibutoxy-N,N-dimethylmethylamine) is a dimethylformamide dialkyl acetal. Its synthesis has been reported by Meerwin and coworkers by reaction of N,N-Dimethylformamide diethyl acetal with butanol.