[2-(Methylthio)ethyl]amin

(2-(Methylthio)ethyl)amine

HCID 87697CAS 18542-42-2

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Grundinformationen

Standard-SMILES: CSCCN
InChIKey: CYWGSFFHHMQKET-UHFFFAOYSA-N
Summenformel: C3H9NS
Durchschnittliche Molmasse: 91,18 g/mol
Monoisotopische Masse: 91,04557046

Namen und Bezeichner

Bevorzugter Name: (2-(Methylthio)ethyl)amine
IUPAC: 2-methylsulfanylethanamine
Lokaler Name: [2-(Methylthio)ethyl]amin
Englischer Name: 2-(Methylthio)ethylamine
Summenformel: C3H9NS
Molmasse: 91.18

Namen und Synonyme

2-(Methylthio)ethylamine[2-(methylthio)ethyl]amine(2-(Methylthio)ethyl)amineDTXSID50171774EINECS 242-412-5RefChem:395139DTXCID2094265242-412-518542-42-22-(Methylthio)ethanamine2-methylsulfanylethanamine2-(methylsulfanyl)ethan-1-amine

Weitere Namen anzeigen

5-methylcysteamine1-Aza-4-thiapentaneRARECHEM AL BW 0219Methylthio)ethylaMin1-AMINO-3-THIABUTANE2-AminoethylmethylsulphideEthanamine,2-(methylthio)-

Ethanamine, 2-(methylthio)-MFCD000148252-Aminoethyl methyl sulfide2-(Methylsulfanyl)ethanamineS-Methylcysteamine2-methylsulfanyl-ethylamine2-(methylthio)-ethylamineUNII-A9H8PF5P28

Datenbank-Bezeichner

CAS: 18542-42-2
PubChem CID: 87697
DTXSID: DTXSID50171774
UNII: A9H8PF5P28
EC Number: 242-412-5
Nikkaji: J146.560K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,1
Polarare Oberfläche (TPSA): 51,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 5
Formalladung: 0
Komplexität: 16

Physikochemische Eigenschaften

Siedepunkt: 146 · 146-149 °C(lit.)
Dichte: 0.98 g/mL · 0.98 g/mL at 20 °C(lit.)
Brechungsindex: 20 · n20/D 1.495(lit.)
Flammpunkt: 119 °F · 119 °F
storage temp.: Flammables area
Aggregatzustand: Crystalline Powder
pka: 1 · pK1:9.18(+1) (30°C)
Wichte: 0.974 · 0.974
Farbe: Off-white to light brown
Wasserlöslichkeit: Soluble in water.
BRN: 1731099 · 1731099
InChI: 1S/C3H9NS/c1-5-3-2-4/h2-4H2,1H3
InChIKey: CYWGSFFHHMQKET-UHFFFAOYSA-N
SMILES: CSCCN
CAS Datenbank: 18542 · 18542-42-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.