Methyl azetidine-3-carboxylate hydrochloride

HCID 21100040

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 100202-39-9
Standard-SMILES: COC(=O)C1CNC1.Cl
InChIKey: UOCWTLBPYROHEF-UHFFFAOYSA-N
Summenformel: C5H10ClNO2
Durchschnittliche Molmasse: 151,59 g/mol
Monoisotopische Masse: 151,04000624

Namen und Bezeichner

Bevorzugter Name: Methyl azetidine-3-carboxylate hydrochloride
IUPAC: methyl azetidine-3-carboxylate;hydrochloride
Englischer Name: 3-AZETIDINECARBOXYLIC ACID, METHYL ESTER, HYDROCHLORIDE
Summenformel: C5H10ClNO2
Molmasse: 151.59

Namen und Synonyme

Methyl azetidine-3-carboxylate hydrochlorideRefChem:817633815-099-3100202-39-9Azetidine-3-carboxylic acid methyl ester hydrochloride3-AZETIDINECARBOXYLIC ACID, METHYL ESTER, HYDROCHLORIDEMFCD01861758methyl azetidine-3-carboxylate HClmethyl azetidine-3-carboxylate;hydrochloride3-Azetidinecarboxylic acid, methyl ester, hydrochloride (1:1)Methyl azetidine-3-carboxylate (hydrochloride)METHYL 3-AZETIDINECARBOXYLATE HYDROCHLORIDE

Weitere Namen anzeigen

Azetidine-3-carboxylic methyl ester hrdrochloride3-Azetidinecarboxylic acid, methyl ester, hydrochloride (1:1) CAS_EXAMPLEMethyl azetidine-3-carbox...Methyl 3-Azetidine carboxylate HClAZETIDINE-3-CARBOXYLIC METHYL ESTER HCL3-AZETIDINECARBOXYLIC ACID, MEHYDROCHLORIDE3-Azetidinecarboxylic acid methyl ester HClAZETIDINE-3-CARBOXYLIC ACID METHYL ESTER HCL

AKOS015845781PB17252Methylazetidine-3-carboxylate hydrochloridehydrogen chloride methyl 3-azetidinecarboxylateazetidine-3-carboxylate methyl ester hydrochlorideazetidine-3-carboxylic methyl ester hydrochlorideAzetidine-3-Methyl carboxylate HydrochlorideBCP34274

Datenbank-Bezeichner

CAS: 100202-39-9
PubChem CID: 21100040
DTXSID: DTXSID70610756
UNII: ZP3S394KYH
EC Number: 815-099-3

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 38,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 9
Formalladung: 0
Komplexität: 98,6

Physikochemische Eigenschaften

Schmelzpunkt: 93 to · 93.0 to 97.0 °C
Siedepunkt: 187 · 187-192℃
Flammpunkt: 69 ° · 69°(156°F)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Wasserlöslichkeit: Soluble in water
Aggregatzustand: powder to crystal
Farbe: White to Almost white
InChI: InChI=1S/C5H9NO2.ClH/c1-8-5(7)4-2-6-3-4;/h4,6H,2-3H2,1H3;1H
InChIKey: UOCWTLBPYROHEF-UHFFFAOYSA-N
SMILES: C(C1CNC1)(=O)OC.Cl

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (20%): 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 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (20%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 2933998090
risk_code: 36
safety_code: 26
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2

Chemie und Industrie

Anwendungen

VerwendenMethyl Azetidine-3-carboxylate Hydrochloride can be used to prepare inhibitors of of human glycogen phosphorylase to treat hyperglycemia, hyperinsulinemia, hyperlipidemia, insulin resistance or tissue ischemia.