1-(Trifluoromethyl)cyclopropanamine hydrochloride

HCID 11651196

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Grundinformationen

CAS: 112738-67-7
Standard-SMILES: Cl.NC1(C(F)(F)F)CC1
InChIKey: MBOJMCCWZHTXSJ-UHFFFAOYSA-N
Summenformel: C4H7ClF3N
Durchschnittliche Molmasse: 161,55 g/mol
Monoisotopische Masse: 161,02191156

Namen und Bezeichner

Bevorzugter Name: 1-(Trifluoromethyl)cyclopropanamine hydrochloride
IUPAC: 1-(trifluoromethyl)cyclopropan-1-amine;hydrochloride
Englischer Name: 1-(Trifluoromethyl)cyclopropanamine
Summenformel: C4H7ClF3N
Molmasse: 161.55

Namen und Synonyme

1-(trifluoromethyl)cyclopropanamine hydrochlorideRefChem:428830816-550-7112738-67-71-(trifluoromethyl)cyclopropan-1-amine HydrochlorideMFCD111095751-(trifluoromethyl)cyclopropan-1-amine;hydrochloride1-TRIFLUOROMETHYLCYCLOPROPYLAMINE HCL1-Trifluoromethyl-cyclopropylamine hydrochlorideAKOS015847652PB39621EN300-105951

Weitere Namen anzeigen

1-Trifluoromethyl-cyclopropylamine1-(Trifluoromethyl)cyclopropanamineTri-FluoroMethylcyclopropylamine hydrochloride(TRIFLUOROMETHYL)CYCLOPROPANAMINE HYDROCHLORIDE

1-(Trifluoromethyl)cyclopropanamine hydrochorideCyclopropanamine, 1-(trifluoromethyl)-, hydrochloride1-Trifluoromethylcyclopropylamine hydrochlorideA25578SCHEMBL933589DTXSID809208781-(Trifluoromethyl)cyclopropanamine, HClAS-38566

Datenbank-Bezeichner

CAS: 112738-67-7
PubChem CID: 11651196
DTXSID: DTXSID80920878
EC Number: 816-550-7

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 102

Physikochemische Eigenschaften

storage temp.: Store at room temperature
Aggregatzustand: crystalline solid
Farbe: White
InChI: InChI=1S/C4H6F3N.ClH/c5-4(6,7)3(8)1-2-3;/h1-2,8H2;1H
InChIKey: MBOJMCCWZHTXSJ-UHFFFAOYSA-N
SMILES: C(C1(CC1)N)(F)(F)F.Cl

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (66.7%): 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

Sicherheitsdaten

hs_code: 2921309990

Chemie und Industrie

Anwendungen

Verwenden1-(Trifluoromethyl)cyclopropanamine Hydrochloride is a useful chemical reactant , used in the synthesis and antiviral activity of (indolyl)pyridinesulfonamides targeting hepatitis C virus NS4B.