N-Methyl dicyclohexylamine (HCID 24210)

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 Å²
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 · 2 件

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: 740 mg/L · 740mg/L at 25℃
BRN: 2074991 · 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: 3.71 at · 3.71 at 25℃
CAS データベース: 7560 · 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)

安全と法規制

GHS分類

GHS Classification · 4 件

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 · 4 件

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 · 1 件

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 · 3 件

n-Methyl dicyclohexylamine

PDF Document

2011

安全データ

F: 10-34
wgk: 2
tsca: TSCA listed
rtecs: HY4190000
ridadr: UN 2735 8/PG 2
hs_code: 29213000
risk_code: 22-34
化審法: (3)-3250
消防法: 危-4-3-III
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Hazard Classifications: Acute Tox. 4 OralSkin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials
有毒物質データの: 7560-83-0(Hazardous Substances Data)

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 · 2 件

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