(1R,2R)-N,N'-디메틸-1,2-시클로헥산디아민
TRANS-1,2-BIS(메틸아미노)사이클로헥산 · (1R,2R)-N1,N2-dimethylcyclohexane-1,2-diamine · t-DMACH · trans-N,N'-Dimethyl-1,2-cyclohexanediamine · trans-N,N'-Dimethylcyclohexane-1,2-diamine · trans-N1,N2-DiMethylcyclohexane-1,2-diaMine · trans-N,N · N,N-Dimethylcyclohexanediamine
식별자 및 물리적 특성
| CAS No. | 67579-81-1 |
|---|---|
| 분자식 | C8H18N2 |
| 평균 분자량 | 142.24 g/mol |
| 단동위원소 질량 | 142.14699858 g/mol |
| SMILES | CN[C@@H]1CCCC[C@H]1NC |
| InChIKey | JRHPOFJADXHYBR-HTQZYQBOSA-N |
| PubChem CID | 2733821 |
| EC No. | 614-082-6 |
| DTXSID | DTXSID20986938 |
| 현지명 | TRANS-1,2-BIS(메틸아미노)사이클로헥산 |
화학 및 물리적 성질
| XLogP | 0.7 |
|---|---|
| 극성 표면적 | 24.1 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 81.3 |
| 녹는점 | 4°C |
| 끓는 점 | 83 °C / 13mmHg |
| 밀도 | 0.89 |
| 굴절률 | n20/D1.472(lit.) |
| 인화점 | 60℃ |
| 저장 조건 | Keep in dark place,Inert atmosphere,2-8°C |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | 11.04±0.40(Predicted) |
| 색상 | 무색~담황색 |
| InChI | InChI=1/C8H18N2/c1-9-7-5-3-4-6-8(7)10-2/h7-10H,3-6H2,1-2H3/t7-,8-/s3 |
| InChIKey | JRHPOFJADXHYBR-HTQZYQBOSA-N |
| SMILES | [C@@H]1(NC)CCCC[C@H]1NC |&1:0,7,r| |
안전 및 규제
| GHS 분류 | DangerH302 (70.3%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 64 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H302 (93.8%): Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| 규제 정보 | Status: Active Update: 09-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23000 |
| Hazard Classes and Categories | Acute Tox. 4 (70.3%)Acute Tox. 4 (93.8%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | 2735 |
| 관세 코드 | 2921309990 |
| 위험 문구(R) | 36/37/38-34-22 |
| 위험 표시 | C |
| 안전 문구(S) | 26-36/37/39-45 |
| 포장분류 | Ⅱ |
| 위험 등급 | 8Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B |
| 저장 분류 | 8A - Combustible corrosive hazardous materials |
용도
개요
Trans-(1R,2R)N,N'-Dimethyl-cyclohexane-1,2-diamine is a useful research chemical for organic synthesis and other chemical processes.
용도
trans-N,N′-dimethylcyclohexane-1,2-diamine can be used as a ligand in the synthesis of the following products via copper catalyzed C-N coupling reactions:vinylsulfoximines obtained from NH sulfoximes and vinyl bromidesN-arylpyridones obtained via reaction between 2-substituted pyridines and aryl halidesN-aryl amines obtained via reaction between amines and aryl iodides/aryl bromides