Hexahydro-1H-azepine-1-ethanamine

2-(AZEPAN-1-YL)ETHAN-1-AMINE · BUTTPARK 154\16-20 · RARECHEM AL BW 1126 · 2-AZEPAN-1-YLETHANAMINE · 2-AZEPAN-1-YL-ETHYLAMINE · 2-(1-azepanyl)ethanamine · N-2-AMINOETHYL HOMOPIPERIDINE · 2-(1-azepanyl)ethanamine 1HCl

https://huagongshe.com/de/chemical/40002

Molekülstruktur von Hexahydro-1H-azepine-1-ethanamine

Identifikatoren & physikalische Daten

CAS No.	51388-00-2
Summenformel	C8H18N2
Durchschnittliche Molmasse	142,24 g/mol
Monoisotopische Masse	142,14699858 g/mol
SMILES	NCCN1CCCCCC1
InChIKey	QHRBDFUMZORTQD-UHFFFAOYSA-N
PubChem CID	40002
EC No.	673-642-8
DTXSID	DTXSID60199388

Chemische & physikalische Eigenschaften

XLogP	0,8
Polarare Oberfläche (TPSA)	29,3
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	2
Schwere Atome	10
Formalladung	0
Komplexität	75,3
Schmelzpunkt	200 °C
Siedepunkt	46-52°C/1mm
Dichte	0.908±0.06 g/cm3(Predicted)
Lagerbedingungen	2-8°C, protect from light
pKa (Säurekonstante)	10.21±0.10(Predicted)
InChI	InChI=1S/C8H18N2/c9-5-8-10-6-3-1-2-4-7-10/h1-9H2
InChIKey	QHRBDFUMZORTQD-UHFFFAOYSA-N
SMILES	N1(CCN)CCCCCC1

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (66.7%)
Gefahrensymbole	Xi
Gefahrenklasse	IRRITANT

Anwendungen & Verwendung

Verwenden

2-Azepan-1-yl-ethylamine is an important organic reagent that can be used as a building block to synthesize mang organic compounds,such as 1-[2-(azepan-1-yl)ethyl]-3-phenylurea.