2-Methylamino-1-phenylpropan-1-ol

d-Ephedrine

HCID 9457CAS 321-98-2

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Grundinformationen

Standard-SMILES: CN[C@H](C)[C@@H](O)c1ccccc1
InChIKey: KWGRBVOPPLSCSI-PSASIEDQSA-N
Summenformel: C10H15NO
Durchschnittliche Molmasse: 165,23 g/mol
Monoisotopische Masse: 165,1153641

Namen und Bezeichner

Bevorzugter Name: d-Ephedrine
IUPAC: (1S,2R)-2-(methylamino)-1-phenylpropan-1-ol
Lokaler Name: 2-Methylamino-1-phenylpropan-1-ol
Englischer Name: (+)EPHEDRINE HEMIHYDRATE
Summenformel: C10H15NO
Molmasse: 165.23

Namen und Synonyme

d-Ephedrine(+)-EphedrineL-(+)-Ephedrine321-98-2(1S,2R)-Ephedrine(1S,2R)-2-(methylamino)-1-phenylpropan-1-olEPHEDRINE, (+)-D-(-)-EphedrineEphedrine, D-(-)-NIOSH/KB065000072087NSY56( inverted exclamation markA)-Ephedrine

Weitere Namen anzeigen

(1s,2r)-(+)-ephedrineEphedrine Impurity 1Ephedrine, (+)- (8CI)D-(+)-EPHEDRINE HEMIHYDRATEKWGRBVOPPLSCSI-PSASIEDQSA-N(1S,2R)-(+)-ephedrine, anhydre1-(S),2-(R)-erythro-(+)-Ephedrine

KB06500000(+)-Ephedrin(+)-(1s,2r)-ephedrineEphedrine DL-form(+)-Ephedrine anhydrousBenzenemethanol, .alpha.-[(1R)-1-(methylamino)ethyl]-, (.alpha.S)-rel-(+-)-Ephedrine2-Methylamino-1-phenylpropan-1-ol

Datenbank-Bezeichner

CAS: 321-98-2、90-81-3
PubChem CID: 9457
UNII: 03VRY66076、72087NSY56
EC Number: 206-293-3
Nikkaji: J59.191B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 32,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 121

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index · 3 Einträge

1376；1350；1360；1360；1350；1360；1354；1350；1350；1360；1354

1318.4；1370.9；1357；1362；1367；1397；1398；1400

2185；2195；2205；2213；2217；2225

Physikochemische Eigenschaften

Schmelzpunkt: 40 °C · 40°C
Siedepunkt: 293.09 °C · 293.09°C (rough estimate)
Dichte: 1.0203 · 1.0203 (rough estimate)
Brechungsindex: 1.482 · 1.4820 (estimate)
pka: 10.139 · 10.139(at 10℃)
EPA chemische Informationen: 1 R)-1- · Benzenemethanol, .alpha.-[(1R)-1-(methylamino)ethyl]-, (.alpha.S)- (321-98-2)

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 40 reports by companies from 3 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.

Gefahrenhinweise

Other Safety InformationIMAP assessments - Benzenemethanol, .alpha.-[1-(methylamino)ethyl]-, [S-(R*,S*)]-: Environment tier I assessment；IMAP assessments - Benzenemethanol, .alpha.-[1-(methylamino)ethyl]-, [S-(R*,S*)]-: Human health tier I assessment

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)