Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
디클로로에틸메틸아민
N-메틸다이사이클로헥실아민 · 디클로로에틸메틸아민 · N-메틸 다이사이클로헥실아민 · N-Cyclohexyl-N-methylcyclohexanamine · N-METHYLDICYCLOHEXYLAMINE · Dicyclohexylmethylamine · Methyldicyclohexylamine · N-cyclohexyl-N-methyl-Cyclohexanamine
식별자 및 물리적 특성
| CAS No. | 7560-83-0 |
|---|---|
| 분자식 | C13H25N |
| 평균 분자량 | 195.34 g/mol |
| 단동위원소 질량 | 195.1986998 g/mol |
| SMILES | CN(C1CCCCC1)C1CCCCC1 |
| InChIKey | GSCCALZHGUWNJW-UHFFFAOYSA-N |
| PubChem CID | 24210 |
| ChEMBL | CHEMBL3186353 |
| ChEBI | CHEBI:183431 |
| EC No. | 231-453-4 |
| DTXSID | DTXSID6044727 |
| 현지명 | 디클로로에틸메틸아민 |
화학 및 물리적 성질
| XLogP | 3.7 |
|---|---|
| 극성 표면적 | 3.2 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 137 |
| 물질 분류 | Nitrogen Compounds -> Amines, Aliphatic |
| LogP(분배 계수) | 3.71 |
| 증기압 | 0.01 [mmHg]7.52Pa at 25℃ |
| Physical Description | LiquidClear slightly yellow liquid or white solid[MSDSonline] |
| 녹는점 | 193-194 °C |
| 끓는 점 | 265 °C(lit.) |
| 밀도 | 0.912 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.49(lit.) |
| 인화점 | 231 °F |
| 저장 조건 | Inert atmosphere,Room Temperature |
| 용해도 | 클로로포름(약간 용해됨), 메탄올(약간 용해됨) |
| 물리적 상태 | 투명한 액체 |
| pKa(산도 계수) | 11.03±0.20(Predicted) |
| 색상 | Colorless to Light orange to Yellow |
| 용해도 | 740mg/L at 25℃ |
| BRN | 2074991 |
| InChI | 1S/C13H25N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3 |
| InChIKey | GSCCALZHGUWNJW-UHFFFAOYSA-N |
| SMILES | CN(C1CCCCC1)C2CCCCC2 |
| LogP(분배 계수) | 3.71 at 25℃ |
| NIST | Cyclohexanamine, N-cyclohexyl-N-methyl-(7560-83-0) |
| EPA | Cyclohexanamine, N-cyclohexyl-N-methyl- (7560-83-0) |
안전 및 규제
| GHS 분류 | DangerH301 (74.9%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P262, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 179 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Cyclohexanamine, N-cyclohexyl-N-methyl-Cyclohexanamine, N-cyclohexyl-N-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanamine, N-cyclohexyl-N-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 11-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/23809Cyclohexanamine, N-cyclohexyl-N-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | Causes somnolence, convulsions, and acute pulmonary edema in lethal-dose feeding studies of rats[RTECS] A corrosive substance that can cause injury to the skin, eyes, and respiratory tractInhalation may result in chemical pneumonitis[Aldrich MSDS] |
| Hazard Classes and Categories | Acute Tox. 3 (74.9%) |
| 유해 작용 | Dermatotoxin - Skin burns. |
| EPA Provisional Peer-Reviewed Toxicity Values | n-Methyl dicyclohexylaminePDF Document2011 |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | HY4190000 |
| 운송 번호(UN) | UN 2735 8/PG 2 |
| 관세 코드 | 29213000 |
| 위험 문구(R) |
용도
용도
N,N-Dicyclohexylmethylamine has been employed as:catalyst during O-phenylation of tertiary alcohol with organobismuth(V) compoundsbase during Pd-catalyzed 5-endo-trig cyclization of 1-(o-bromophenyl)-2-methylprop-2-en-1-ol