Methyl-D-valinathydrochlorid

Methyl D-valinate hydrochloride

HCID 11984198

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Grundinformationen

CAS: 7146-15-8
Standard-SMILES: COC(=O)[C@H](N)C(C)C.Cl
InChIKey: KUGLDBMQKZTXPW-NUBCRITNSA-N
Summenformel: C6H14ClNO2
Durchschnittliche Molmasse: 167,63 g/mol
Monoisotopische Masse: 167,07130637

Namen und Bezeichner

Bevorzugter Name: Methyl D-valinate hydrochloride
IUPAC: methyl (2R)-2-amino-3-methylbutanoate;hydrochloride
Lokaler Name: Methyl-D-valinathydrochlorid
Englischer Name: Methyl D-valinate hydrochloride
Summenformel: C6H14ClNO2
Molmasse: 167.63

Namen und Synonyme

Methyl D-valinate hydrochlorideMethyl D-valinate HClEINECS 230-454-7DTXSID60221673NSC 22921RefChem:817708DTXCID90144164230-454-77146-15-8D-Valine methyl ester hydrochlorideH-D-Val-OMe.HCl21685-47-2

Weitere Namen anzeigen

D-Val-OMe·HClD-VALINE-OME HCLH-N-Me-Val-OH·HClmethyl 2-azanyl-3-methyl-butanoate

H-D-VAL-OME HCLMFCD00237309D-Valine methyl ester HClO-Methyl-D-valine (hydrochloride)(R)-Methyl 2-amino-3-methylbutanoate hydrochloridemethyl (2R)-2-amino-3-methylbutanoate hydrochloridemethyl (2R)-2-amino-3-methylbutanoate;hydrochlorideH-D-Val-OMe

Datenbank-Bezeichner

CAS: 7146-15-8
PubChem CID: 11984198
DTXSID: DTXSID60221673
EC Number: 230-454-7

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: 170 °C · ~170 °C (dec.)
Brechungsindex: -15 ° · -15 ° (C=2, H2O)
storage temp.: Sealed in dry,Room Temperature
Wasserlöslichkeit: Soluble in water
Löslichkeit: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
Aggregatzustand: Powder
Farbe: White
BRN: 3912091 · 3912091
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-JEDNCBNOSA-N
SMILES: C(OC)(=O)[C@@H](C(C)C)N.[H]Cl |&1:4,r|
CAS Datenbank: 7146 · 7146-15-8(CAS DataBase Reference)

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 2 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

wgk: 3
hs_code: 29241990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-36-26
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenD-Valine methyl ester hydrochloride is a protected form of D-Valine (V094200). D-Valine (an isomer of the essential amino acid L-Valine [V094205])exhibited inhibitory effects on fibroblasts that contaminated mammalian kidney cultures, allowing for selective growth epithelial cells. D-Valine is also known for its presence in the structure of Actinomycin D, an antitumour drug. D-Valine is naturally synthesized by Streptomyces antibioticus.