Methyl valinate hydrochloride

HCID 111190CAS 6306-52-1

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Grundinformationen

Standard-SMILES: COC(=O)[C@@H](N)C(C)C.Cl
InChIKey: KUGLDBMQKZTXPW-JEDNCBNOSA-N
Summenformel: C6H14ClNO2
Durchschnittliche Molmasse: 167,63 g/mol
Monoisotopische Masse: 167,07130637

Namen und Bezeichner

Bevorzugter Name: Methyl valinate hydrochloride
IUPAC: methyl (2S)-2-amino-3-methylbutanoate;hydrochloride
Englischer Name: L-Valine methyl ester hydrochloride
Summenformel: C6H13NO2.ClH
Molmasse: 167.63

Namen und Synonyme

Methyl valinate hydrochlorideMethyl valinate HClDTXSID60212389EINECS 228-620-9NSC 197198NSC 22920RefChem:818117DTXCID10134880228-620-9L-Valine methyl ester hydrochloride6306-52-1H-Val-OMe.HCl

Weitere Namen anzeigen

L-2-AMINOISOVALERIC ACID METHYL ESTER HYDROCHLORIDEVAL-OME.HCLVALINE-OME HCLL-Valine Methylester Hcl 98%L-METHYL VALINATE HYDROCHLORIDE

(s)-methyl 2-amino-3-methylbutanoate hydrochloridemethyl l-valinate hydrochlorideh-val-ome hclh-l-val-ome hcll-valine methyl ester hclvaline methyl ester hydrochlorideMFCD00012497Val-OMe Hydrochloride

Datenbank-Bezeichner

CAS: 6306-52-1
PubChem CID: 111190
DTXSID: DTXSID60212389
ChEMBL: CHEMBL1221961
EC Number: 228-620-9

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 52,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 10
Formalladung: 0
Komplexität: 101

Physikochemische Eigenschaften

Schmelzpunkt: 171 · 171-173 °C(lit.)
Brechungsindex: 15.5 ° · 15.5 ° (C=2, H2O)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Crystalline Powder
Farbe: White
BRN: 3594960 · 3594960
Stabilität: Stable. Incompatible with strong oxidizing agents.
Major Application: peptide synthesis
InChI: InChI=1/C6H13NO2.ClH/c1-4(2)5(7)6(8)9-3;/h4-5H,7H2,1-3H3;1H/t5-;/s3
InChIKey: KUGLDBMQKZTXPW-NUBCRITNSA-N
SMILES: [C@H](N)(C(C)C)C(=O)OC.Cl |&1:0,r|
CAS Datenbank: 6306 · 6306-52-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.