4,4-Difluoro-L-prolinamide hydrochloride

HCID 45158909

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Grundinformationen

CAS: 426844-51-1
Standard-SMILES: Cl.NC(=O)[C@@H]1CC(F)(F)CN1
InChIKey: RRQDQYAEZGKHOB-DFWYDOINSA-N
Summenformel: C5H9ClF2N2O
Durchschnittliche Molmasse: 186,59 g/mol
Monoisotopische Masse: 186,0371469

Namen und Bezeichner

Bevorzugter Name: 4,4-Difluoro-L-prolinamide hydrochloride
IUPAC: (2S)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
Englischer Name: 4,4-DIFLUORO-L-PROLINAMIDE HYDROCHLORIDE
Summenformel: C5H9ClF2N2O
Molmasse: 186.59

Namen und Synonyme

4,4-Difluoro-L-prolinamide hydrochlorideRefChem:5072892-Pyrrolidinecarboxamide, 4,4-difluoro-, hydrochloride (1:1), (2S)-670-268-7426844-51-1(S)-4,4-Difluoropyrrolidine-2-carboxamide hydrochlorideMFCD06797014(2S)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride4,4-Difluoro-l-prolinamide HClC5H9ClF2N2O(2S)-4,4-DIFLUOROPYRROLIDINE-2-CARBOXAMIDE HYDROCHLORIDE4,4-DIFLUORO-L-PROLINAMIDE, HCL

Weitere Namen anzeigen

(2S)-4,4-difluoropyrrolidine-2-carboxamide4,4-difluoro-l-prolineaminoamidehydrochloride(S)-4,4-difluoropyrrolidine-2-carboxamide HCl(2S)-4,4-difluoro-2-pyrrolidinecarboxamide, HCl(2S)-4,4-difluoro-L-proline amide hydrochloride-4,4-Difluoropyrrolidine-2-carboxamide hydrochloride

DTXSID70669800AKOS016844203(S)-4,4-Difluoropyrolidine-2-carboxamide hydrochlorideCS-00428484,4-Difluoro-L-prolinamide--hydrogen chloride (1/1)(2s)-4,4-difluoro-2-pyrrolidinecarboxamide hydrochloride(2S)-2-Aminocarbonyl-4,4-difluoropyrrolidine Hydrochloride; (2S)-4,4-Difluoro-2-pyrrolidinecarboxamide Hydrochloride; (S)-4,4-Difluoropyrrolidine-2-carboxamide Hydrochloride;SCHEMBL1347345

Datenbank-Bezeichner

CAS: 426844-51-1
PubChem CID: 45158909
DTXSID: DTXSID70669800
EC Number: 670-268-7

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 55,1 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 160

Physikochemische Eigenschaften

Schmelzpunkt: 222 °C · 222°C
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
Farbe: Pale Grey to Light Grey
InChI: InChI=1/C5H8F2N2O.ClH/c6-5(7)1-3(4(8)10)9-2-5;/h3,9H,1-2H2,(H2,8,10);1H/t3-;/s3
InChIKey: RRQDQYAEZGKHOB-OQFXAWDINA-N
SMILES: C1[C@@H](C(N)=O)NCC1(F)F.Cl |&1:1,r|

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 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.