3-Amino-1-(2-(morpholin-4-yl)ethyl)thiourea

N-(2-morpholinoethyl)hydrazinecarbothioamide · 2-MORPHOLINOETHYLTHIOSEMICARBAZIDE · 4-(2-morpholinoethyl)thiosemicarbazide · 4-(2-MORPHOLINOETHYL)-3-THIOSEMICARBAZIDE · 1-amino-3-(2-morpholin-4-ylethyl)thiourea · 1-amino-3-[2-(4-morpholinyl)ethyl]thiourea · 4-[2-(4-Morpholino)ethyl]-3-thiosemicarbazide · 4-[2-(4-Morpholinyl)ethyl]-3-thiosemicarbazide

https://huagongshe.com/de/chemical/736209

Molekülstruktur von 3-Amino-1-(2-(morpholin-4-yl)ethyl)thiourea

Identifikatoren & physikalische Daten

CAS No.	77644-45-2
Summenformel	C7H16N4OS
Durchschnittliche Molmasse	204,3 g/mol
Monoisotopische Masse	204,10448213 g/mol
SMILES	NNC(=S)NCCN1CCOCC1
InChIKey	OBGPRENQQPWJOC-UHFFFAOYSA-N
PubChem CID	736209
EC No.	673-717-5
DTXSID	DTXSID70352962

Chemische & physikalische Eigenschaften

XLogP	-1,1
Polarare Oberfläche (TPSA)	94,6
H-Brücken-Donoren	3
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	3
Schwere Atome	13
Formalladung	0
Komplexität	161
Schmelzpunkt	168-170°C
Siedepunkt	340.6±52.0 °C(Predicted)
Dichte	1.209±0.06 g/cm3(Predicted)
pKa (Säurekonstante)	10.69±0.70(Predicted)
BRN	4733425

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (85.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (85.7%)
UN-Transportnummer	2811
R-Sätze (R)	22-36/37/38
Sicherheitshinweise (S)	26-36/37/39
Gefahrenklasse	IRRITANT
Verpackungsgruppe	III