Methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate hydrochloride

HCID 12764090

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Grundinformationen

CAS: 114676-59-4
Standard-SMILES: COC(=O)[C@H]1C[C@@H](O)CN1.Cl
InChIKey: KLGSHNXEUZOKHH-TYSVMGFPSA-N
Summenformel: C6H12ClNO3
Durchschnittliche Molmasse: 181,62 g/mol

Namen und Bezeichner

Bevorzugter Name: Methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate hydrochloride
IUPAC: methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
Englischer Name: D-Proline, 4-hydroxy-, methyl ester, hydrochloride (1:1), (4R)-
Summenformel: C6H11NO3.ClH
Molmasse: 181.618

Namen und Synonyme

Methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate hydrochlorideD-Proline, 4-hydroxy-, methyl ester, hydrochloride (1:1), (4R)-RefChem:812087691-825-0114676-59-4(2R,4R)-METHYL 4-HYDROXYPYRROLIDINE-2-CARBOXYLATE HYDROCHLORIDEMFCD00082536methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochlorideD-Proline, 4-hydroxy-, methyl ester (hydrochloride)(2R,4R)-4-hydroxy-2-methoxycarbonylpyrrolidine hydrochloride(2R,4R)-4-Hydroxy-pyrrolidine-2-carboxylic acid methyl ester hydrochloride(2R,4R)-4-Hydroxypyrrolidine-2-carboxylic acid methyl ester hydrochloride

Weitere Namen anzeigen

Cis-D-Hyp-OMe.HCCis-D-Hyp-OMe.HClD-Proline, 4-HydroxyCis-4-Hydroxy-D-proline Methyl ester HCl(4R)-4-Hydroxy-D-proline methyl ester HClMethyl cis-4-Hydroxy-D-proline HydrochlorideMethyl 4-hydroxypyrrolidine-2-carboxylate HClCis-4-hydroxy-proline Methyl ester hydrochloride -D-

4-(R)-Hydroxypyrrolidine-2-(R)-carboxylic acid methyl ester hydrochloridecis-4-Hydroxy-D-proline methyl ester hydrochloride(2R,4R)-Methyl 4-hydroxypyrrolidine-2-carboxylate HClKLGSHNXEUZOKHH-TYSVMGFPSA-ND-Proline, 4-hydroxy-, methyl ester, hydrochloride, (4R)-SCHEMBL475806CS-M0680AKOS000278312

Datenbank-Bezeichner

CAS: 114676-59-4
PubChem CID: 12764090
EC Number: 691-825-0

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 58,6 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 137

Physikochemische Eigenschaften

Schmelzpunkt: 121 · 121-123℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: solid
Farbe: White

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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.