CAS 45347-82-8 3-Hydroxyazetidine (HCID 1514290)

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Grundinformationen

CAS: 45347-82-8
Standard-SMILES: OC1CNC1
InChIKey: GMWFCJXSQQHBPI-UHFFFAOYSA-N
Summenformel: C3H7NO
Durchschnittliche Molmasse: 73,09 g/mol
Monoisotopische Masse: 73,05276384

Namen und Bezeichner

Bevorzugter Name: 3-Hydroxyazetidine
IUPAC: azetidin-3-ol
Englischer Name: Azetidin-3-ol
Summenformel: C3H7NO
Molmasse: 73.09

Namen und Synonyme

3-hydroxyazetidineRefChem:502511830-570-3Azetidin-3-ol45347-82-83-AzetidinolMFCD03695446F2145-0848azetidine-3-olXKS3-hydroxy-azetidineSCHEMBL48555

Weitere Namen anzeigen

(S)-methyl 2,2-dimethyl-1,3-dioxolane-4-carboxylateBaricitinib-0093-AZETIDINOLHCL3-azacyclobutylolAzetidin-3-ol, 3-Hydroxyazetane

SCHEMBL188255SCHEMBL1427651SCHEMBL5567184SCHEMBL16069964DTXSID30363837GMWFCJXSQQHBPI-UHFFFAOYSA-NSMSSF-0613658STR08059

Datenbank-Bezeichner

CAS: 45347-82-8
PubChem CID: 1514290
DTXSID: DTXSID30363837
EC Number: 830-570-3
Nikkaji: J36.167D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1
Polarare Oberfläche (TPSA): 32,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 5
Formalladung: 0
Komplexität: 33,9

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesSchoenflies notation

Physikochemische Eigenschaften

Siedepunkt: 170.7 · 170.7±15.0 °C(Predicted)
Dichte: 1.142 · 1.142±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 14.51 · 14.51±0.20(Predicted)
InChI: InChI=1S/C3H7NO/c5-3-1-4-2-3/h3-5H,1-2H2
InChIKey: GMWFCJXSQQHBPI-UHFFFAOYSA-N
SMILES: N1CC(O)C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): 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 (100%)

Sicherheitsdaten

hs_code: 2933998090

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenAzetidin-3-ol is an organic alcohol used as an organic synthesis reagent for the preparation of other organic substances. Azetidin-3-ol is also used in the preparation of biological inhibitors for the treatment of diseases such as cancer.Azetidin-3-ol hydrochloride is used in the synthesis of Antibody-Drug Coupling Compounds (ADCs) and PROTAC.