2-(4-Methanesulfonylphenyl)ethan-1-amine

HCID 2760957

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 153402-45-0
Standard-SMILES: CS(=O)(=O)c1ccc(CCN)cc1
InChIKey: XFXSJOHJDZJFCP-UHFFFAOYSA-N
Summenformel: C9H13NO2S
Durchschnittliche Molmasse: 199,27 g/mol
Monoisotopische Masse: 199,06669983

Namen und Bezeichner

Bevorzugter Name: 2-(4-Methanesulfonylphenyl)ethan-1-amine
IUPAC: 2-(4-methylsulfonylphenyl)ethanamine
Englischer Name: 2-(4-Methylsulfonyl-phenyl)-ethylamine
Summenformel: C9H13NO2S
Molmasse: 199.27

Namen und Synonyme

153402-45-02-(4-METHANESULFONYLPHENYL)ETHAN-1-AMINERefChem:457866818-378-82-[4-(Methylsulfonyl)phenyl]ethylamine2-(4-methylsulfonylphenyl)ethanamineMFCD084490422-(4-METHYLSULFONYL-PHENYL)-ETHYLAMINE4-(Methylsulfonyl)-benzeneethanamine2-(4-(methylsulfonyl)phenyl)ethylamine2-(4-(METHYLSULFONYL)PHENYL)ETHANAMINEBenzeneethanamine, 4-(methylsulfonyl)-

Weitere Namen anzeigen

2-(4-Methanesulfonyl-phenyl)-ethylamine2-(4-(Methylsulfonyl)phenyl)ethan-1-amine

SCHEMBL1251844SCHEMBL277303262-[4-(Mesulfonyl)phenyl]EtamineXFXSJOHJDZJFCP-UHFFFAOYSA-NDGA40245(4-methanesulfonyl-benzyl)methylamineAKOS006032786AB45420

Datenbank-Bezeichner

CAS: 153402-45-0
PubChem CID: 2760957
EC Number: 818-378-8
Nikkaji: J986.569A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 68,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 13
Formalladung: 0
Komplexität: 235

Physikochemische Eigenschaften

Siedepunkt: 377.1 · 377.1±34.0 °C(Predicted)
Dichte: 1.188 · 1.188±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: 9.34 · 9.34±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 2 reports by companies from 2 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.