D-Serine methyl ester hydrochloride

HCID 11446470

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Grundinformationen

CAS: 5874-57-7
Standard-SMILES: COC(=O)[C@H](N)CO.Cl
InChIKey: NDBQJIBNNUJNHA-AENDTGMFSA-N
Summenformel: C4H10ClNO3
Durchschnittliche Molmasse: 155,58 g/mol
Monoisotopische Masse: 155,0349209

Namen und Bezeichner

Bevorzugter Name: D-Serine methyl ester hydrochloride
IUPAC: methyl (2R)-2-amino-3-hydroxypropanoate;hydrochloride
Englischer Name: D-Serine methyl ester hydrochloride
Summenformel: C4H10ClNO3
Molmasse: 155.58

Namen und Synonyme

D-Serine methyl ester hydrochlorideD-Serine, methyl ester, hydrochlorideD-Serine, methyl ester, hydrochloride (1:1)DTXSID10466057RefChem:585039DTXCID70416876611-745-1691-855-45874-57-7h-d-ser-ome.hcl(R)-Methyl 2-amino-3-hydroxypropanoate hydrochlorideH-D-Ser-Ome HCl

Weitere Namen anzeigen

D-Ser-OMe.HClD-Serine Methyl Ester HClH-D-Ser-OMe.HCID-SERINE-OME HCLD-Serine methyl esteCycloserine Impurity 12Cycloserine Impurity 2 HCl

methyl d-serinate hydrochlorideMFCD00066121D-Ser-OMe HCl(R)-Methyl 2-amethyl (2R)-2-amino-3-hydroxypropanoate;hydrochloride(D)-serine methyl ester HCl saltmethyl (2R)-2-amino-3-hydroxypropanoate hydrochlorideCS-W016249

Datenbank-Bezeichner

CAS: 5874-57-7
PubChem CID: 11446470
DTXSID: DTXSID10466057
UNII: N57EG2F8R9
EC Number: 611-745-1、691-855-4

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 72,6 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 9
Formalladung: 0
Komplexität: 83,4

Physikochemische Eigenschaften

Schmelzpunkt: 163 · 163-166 °C(lit.)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
Löslichkeit: Soluble in ethanol and methanol.
Aggregatzustand: Liquid
Farbe: Clear colorless to yellow
Major Application: peptide synthesis
InChI: InChI=1/C4H9NO3.ClH/c1-8-4(7)3(5)2-6;/h3,6H,2,5H2,1H3;1H/t3-;/s3
InChIKey: NDBQJIBNNUJNHA-AENDTGMFSA-N
SMILES: [C@@H](N)(CO)C(=O)OC.Cl |&1:0,r|
CAS Datenbank: 5874 · 5874-57-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 100% (11 of 11) of all reports.

Not Classified

Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory.

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

Gefahrenhinweise

Regulatory InformationD-Serine, methyl ester, hydrochloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and Categories · 2 Einträge

Skin Irrit. 2 (50%)

Not Classified