N,N,N′-트리메틸에틸렌디아민
N,N,N′-트리메틸에틸렌디아민 · N,N,N'-트라이메틸에틸렌다이아민 · N1,N1,N2-TriMethylethane-1,2-diaMine · Trimethylethylenediamine · enediamine · N N N-TRIMETHYLETHYLENEDIAMINE · N,N,N'-Trimethylethane-1,2-diamine · N,N,N'-Trimethylethylenediamine (TMEDA)
식별자 및 물리적 특성
| CAS No. | 142-25-6 |
|---|---|
| 분자식 | C5H14N2 |
| 평균 분자량 | 102.18 g/mol |
| 단동위원소 질량 | 102.11569845 g/mol |
| SMILES | CNCCN(C)C |
| InChIKey | HVOYZOQVDYHUPF-UHFFFAOYSA-N |
| PubChem CID | 67338 |
| ChEMBL | CHEMBL3780444 |
| EC No. | 205-529-2 |
| DTXSID | DTXSID8059714 |
| 현지명 | N,N,N′-트리메틸에틸렌디아민 |
화학 및 물리적 성질
| XLogP | -0.2 |
|---|---|
| 극성 표면적 | 15.3 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 35.1 |
| 녹는점 | -30.89°C (estimate) |
| 끓는 점 | 116-118 °C(lit.) |
| 밀도 | 0.786 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.419(lit.) |
| 인화점 | 49 °F |
| 저장 조건 | Inert atmosphere,Room Temperature |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | 10.34±0.10(Predicted) |
| 색상 | 무색의 |
| BRN | 505989 |
| InChI | InChI=1S/C5H14N2/c1-6-4-5-7(2)3/h6H,4-5H2,1-3H3 |
| InChIKey | HVOYZOQVDYHUPF-UHFFFAOYSA-N |
| SMILES | C(N(C)C)CNC |
| LogP(분배 계수) | -0.200 |
| EPA | 1,2-Ethanediamine, N,N,N'-trimethyl- (142-25-6) |
화학적 성질
Clear colorless liquid
안전 및 규제
| GHS 분류 | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | 1,2-Ethanediamine, N,N,N'-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 2733 3/PG 2 |
| 관세 코드 | 29212900 |
| 위험 문구(R) | 11-34-37 |
| 위험 표시 | F,C |
| 안전 문구(S) | 16-26-36/37/39-45 |
| 포장분류 | II |
| 위험 등급 | 3Flam. Liq. 2Skin Corr. 1B |
| 기존화학 물질 | KE-34518 |
| F 고인화성물질 | 34 |
| 저장 분류 | 3 - Flammable liquids |
용도
용도
N,N,N'-Trimethylethylenediamine is used as a precursor in the synthesis of a novel gemini surfactant viz. N,N-dimethyl-N-{2-[N'-methyl-N'-(3-sulfopropyl)-alkylammonium]ethyl}-1-alkylammonium bromides. It is also used as an amine component for in-situ formation of alpha-amino alkoxides. Further, it is involved in the synthesis of N,N'-dimethyl-N'-(2-hydroxy-aethyl)-aethylendiamin.
일반 설명
N,N,N′-Trimethylethylenediamine is synthesized using laser-vaporization supersonic molecular beam. It has been studied using pulsed-field ionization zero electron kinetic energy.