N-Cyclohexyl-N-methylcyclohexanamin

N-Cyclohexyl-N-methylcyclohexanamine · N-METHYLDICYCLOHEXYLAMINE · Dicyclohexylmethylamine · Methyldicyclohexylamine · N-cyclohexyl-N-methyl-Cyclohexanamine · N,N-Dicyclohexyl-N-methylamine · TIMTEC-BB SBB008043 · N,N-Cyclohexylmethylamine

https://huagongshe.com/de/chemical/24210

Molekülstruktur von N-Cyclohexyl-N-methylcyclohexanamin

Identifikatoren & physikalische Daten

CAS No.	7560-83-0
Summenformel	C13H25N
Durchschnittliche Molmasse	195,34 g/mol
Monoisotopische Masse	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
Lokaler Name	N-Cyclohexyl-N-methylcyclohexanamin

Chemische & physikalische Eigenschaften

XLogP	3,7
Polarare Oberfläche (TPSA)	3,2
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	2
Schwere Atome	14
Formalladung	0
Komplexität	137
Stoffklassen	Nitrogen Compounds -> Amines, Aliphatic
LogP (Verteilungskoeffizient)	3.71
Dampfdruck	0.01 [mmHg]7.52Pa at 25℃
Physical Description	LiquidClear slightly yellow liquid or white solid[MSDSonline]
Schmelzpunkt	193-194 °C
Siedepunkt	265 °C(lit.)
Dichte	0.912 g/mL at 25 °C(lit.)
Brechungsindex	n20/D 1.49(lit.)
Flammpunkt	231 °F
Lagerbedingungen	Inert atmosphere,Room Temperature
Löslichkeit	Chloroform (Slightly), Methanol (Slightly)740mg/L at 25℃
Aggregatzustand	clear liquid
pKa (Säurekonstante)	11.03±0.20(Predicted)
Farbe	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 (Verteilungskoeffizient)	3.71 at 25℃
CAS Datenbank	7560-83-0(CAS DataBase Reference)
NIST chemische Informationen	Cyclohexanamine, N-cyclohexyl-N-methyl-(7560-83-0)
EPA chemische Informationen	Cyclohexanamine, N-cyclohexyl-N-methyl- (7560-83-0)

Sicherheit & Vorschriften

GHS-Einstufung	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.
Regulatorische Informationen	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
Gefahrenübersicht	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%)
Unerwünschte Wirkungen	Dermatotoxin - Skin burns.
EPA Provisional Peer-Reviewed Toxicity Values	n-Methyl dicyclohexylaminePDF Document2011
F	10-34
Wassergefährdungsklasse (WGK)	2
TSCA-Inventar-Status	TSCA listed
UN-Transportnummer	UN 2735 8/PG 2

Anwendungen & Verwendung

Verwenden

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