N,N-ジシクロヘキシルメチルアミン
N-Methyl dicyclohexylamine
基本情報
- CAS
7560-83-0- 標準SMILES
CN(C1CCCCC1)C1CCCCC1- InChIKey
GSCCALZHGUWNJW-UHFFFAOYSA-N- 分子式
- C13H25N
- 平均分子量
- 195.34 g/mol
- 単同位体質量
- 195.1986998
概要
N-Cyclohexyl-N-methylcyclohexanamine is an amine.
名称と識別子
- 優先名称
- N-Methyl dicyclohexylamine
- IUPAC
- N-cyclohexyl-N-methylcyclohexanamine
- 現地名
- N,N-ジシクロヘキシルメチルアミン
- 英語名
- N,N-Dicyclohexylmethylamine
- 分子式
- C13H25N
- 分子量
- 195.34
名称と別名
N-Cyclohexyl-N-methylcyclohexanamine7560-83-0N,N-DicyclohexylmethylamineN-MethyldicyclohexylamineCyclohexanamine, N-cyclohexyl-N-methyl-Dicyclohexylamine, N-methyl-methyldicyclohexylamineHSDB 4370N-METHYL DICYCLOHEXYLAMINEN-Cyclohexyl-N-methylcyclohexylamineDTXSID6044727EINECS 231-453-4
名称をさらに表示
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1,1′-(メチルイミノ)ビスシクロヘキサンDicyclohexylmethylamineN-cyclohexyl-N-methyl-CyclohexanamineN,N-Dicyclohexyl-N-methylamineTIMTEC-BB SBB008043N,N-Cyclohexylmethylaminen-methyl-dicyclohexylaminN-methylbicyclohexylamine
RI95G6J8FFNSC 166513BRN 2074991NSC-166513DTXCID4024727METHYLDICYCLOHEXYLAMINE, N-4-12-00-00023 (Beilstein Handbook Reference)N-METHYL DICYCLOHEXYLAMINE [HSDB]
データベース識別子
- CAS
7560-83-0- PubChem CID
- 24210
- DTXSID
DTXSID6044727- ChEMBL
CHEMBL3186353- ChEBI
CHEBI:183431- UNII
- RI95G6J8FF
- EC Number
- 231-453-4
- Nikkaji
- J87.276H
物性
構造計算による物性
- XLogP
- 3.7
- 極性表面積
- 3.2 Ų
- 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
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Amines, Aliphatic
LogP3.71
Vapor Pressure0.01 [mmHg]
Physical Description
Liquid
Clear slightly yellow liquid or white solid; [MSDSonline]
物理化学的性質
- 融点
- 193 · 193-194 °C
- 沸点
- 265 °C · 265 °C(lit.)
- 比重(密度)
- 0.912 g/mL · 0.912 g/mL at 25 °C(lit.)
- 蒸気圧
- 7.52 Pa · 7.52Pa at 25℃
- 屈折率
- 20 · n20/D 1.49(lit.)
- 闪点
- 231 °F · 231 °F
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 溶解性
- Chloroform (Slightly), Methanol (Slightly)
- 外見
- clear liquid
- 酸解離定数(Pka)
- 11.03 · 11.03±0.20(Predicted)
- 色
- Colorless to Light orange to Yellow
- 水溶解度
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H301 (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.
危険有害性情報
Regulatory Information
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/23809
Cyclohexanamine, N-cyclohexyl-N-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
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 tract; Inhalation may result in chemical pneumonitis; [Aldrich MSDS]
Hazard Classes and CategoriesAcute Tox. 3 (74.9%)
毒性情報
Adverse EffectsDermatotoxin - Skin burns.
EPA Provisional Peer-Reviewed Toxicity Values
化学と産業
用途と製造
UsesUsed as a urethane foam catalyst; [Ullmann]
U.S. Production2023: 250,000 - <550,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesChemical reaction regulator
General Manufacturing Information
Wholesale and Retail Trade
Cyclohexanamine, N-cyclohexyl-N-methyl-: ACTIVE
応用分野
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
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