化工社化工社 化学情報印刷レポート · 研究参考用
N,N-ジシクロヘキシルメチルアミン
N,N-ジシクロヘキシルメチルアミン · メチルジシクロヘキシルアミン · ジシクロヘキシル(メチル)アミン · N,N-ジシクロヘキシル-N-メチルアミン · N-メチルジシクロヘキシルアミン · 1,1'-(メチルイミノ)ビスシクロヘキサン · N,N-ジシクロヘキシルメタンアミン · N-シクロヘキシル-N-メチルシクロヘキサンアミン
識別子と物理属性
| CAS No. | 7560-83-0 |
|---|---|
| 分子式 | C13H25N |
| 平均分子量 | 195.34 g/mol |
| 単同位体質量 | 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 |
| 現地名 | N,N-ジシクロヘキシルメチルアミン |
化学・物理的性質
| XLogP | 3.7 |
|---|---|
| 極性表面積 | 3.2 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 1 |
| 回転可能結合数 | 2 |
| 重原子数 | 14 |
| 形式電荷 | 0 |
| 複雑度 | 137 |
| 物質分類 | Nitrogen Compounds -> Amines, Aliphatic |
| LogP（分配係数） | 3.71 |
| 蒸気圧 | 0.01 [mmHg]7.52Pa at 25℃ |
| Physical Description | LiquidClear slightly yellow liquid or white solid[MSDSonline] |
| 融点 | 193-194 °C |
| 沸点 | 265 °C(lit.) |
| 密度 | 0.912 g/mL at 25 °C(lit.) |
| 屈折率 | n20/D 1.49(lit.) |
| 引火点 | 231 °F |
| 貯蔵条件 | Inert atmosphere,Room Temperature |
| 溶解度 | Chloroform (Slightly), Methanol (Slightly)740mg/L at 25℃ |
| 外観・状態 | clear liquid |
| pKa（酸解離定数） | 11.03±0.20(Predicted) |
| 色 | Colorless to Light orange to Yellow |
| 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（分配係数） | 3.71 at 25℃ |
| CAS データベース | 7560-83-0(CAS DataBase Reference) |
| NISTの化学物質情報 | Cyclohexanamine, N-cyclohexyl-N-methyl-(7560-83-0) |
| EPAの化学物質情報 | Cyclohexanamine, N-cyclohexyl-N-methyl- (7560-83-0) |
安全性と法規制
| GHS 分類 | 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. |
|---|---|
| 規制情報 | 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 |
| 有害性の概要 | 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%) |
| 有害作用 | Dermatotoxin - Skin burns. |
| EPA Provisional Peer-Reviewed Toxicity Values | n-Methyl dicyclohexylaminePDF Document2011 |
| F | 10-34 |
| 水環境危害等級（WGK） | 2 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | HY4190000 |
| 輸送番号（UN） | UN 2735 8/PG 2 |
| 税関コード | 29213000 |
| 危険文句（R） | 22-34 |
| 化審法 | (3)-3250 |
| 消防法 | 危-4-3-III |
| 危険表示 | C |
| 安全措置（S） | 26-36/37/39-45 |
| 危険等級 | 8Acute Tox. 4 OralSkin Corr. 1B |
| 包装等級 | III |
| 貯蔵分類 | 8A - Combustible corrosive hazardous materials |
| 有害物質データ | 7560-83-0(Hazardous Substances Data) |
用途
使用
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