D-Leucine Methyl Ester Hydrochloride

HCID 11600782

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Grundinformationen

CAS: 5845-53-4
Standard-SMILES: COC(=O)[C@H](N)CC(C)C.Cl
InChIKey: DODCBMODXGJOKD-FYZOBXCZSA-N
Summenformel: C7H16ClNO2
Durchschnittliche Molmasse: 181,66 g/mol
Monoisotopische Masse: 181,0869564

Namen und Bezeichner

Bevorzugter Name: D-Leucine Methyl Ester Hydrochloride
IUPAC: methyl (2R)-2-amino-4-methylpentanoate;hydrochloride
Englischer Name: D-Leucine methyl ester hydrochloride
Summenformel: C7H15NO2.ClH
Molmasse: 181.66

Namen und Synonyme

D-Leucine Methyl Ester Hydrochloride5845-53-4(R)-Methyl 2-amino-4-methylpentanoate hydrochlorideH-D-Leu-OMe.HClMethyl D-leucinate hydrochlorideMFCD00066115D-LEUCINE METHYL ESTER HCLH-D-Leu-OMe inverted exclamation mark currencyHClmethyl (2R)-2-amino-4-methylpentanoate;hydrochlorideH-D-LEU-OME HCLH-D-Leu-OMe . HClD-Leucine, methyl ester, hydrochloride

Weitere Namen anzeigen

H-D-Leu-OMeeu-OMe·HCLD-LEUCINE-OME HCLN-METHYL-D-LEUCINE HCLD-leucinate hydrochloride.D-leucine Methy ester hydrochlorideD-LeucineMethylEsterHydrochloride>

D-Leu-OCH3.HClmethyl (2R)-2-amino-4-methylpentanoate, chlorideSCHEMBL353346D-LeucineMethylEsterHydrochlorideDTXSID401372266FD3053AKOS015924127(D)-leucine methyl ester hydrochloride

Datenbank-Bezeichner

CAS: 5845-53-4
PubChem CID: 11600782
DTXSID: DTXSID401372266
EC Number: 864-009-9

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 52,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 11
Formalladung: 0
Komplexität: 112

Physikochemische Eigenschaften

Schmelzpunkt: 150 °C · 150 °C
Brechungsindex: -14 ° · -14 ° (C=2, H2O)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
Farbe: Off-white to white
Wasserlöslichkeit: soluble
InChI: InChI=1/C7H15NO2.ClH/c1-5(2)4-6(8)7(9)10-3;/h5-6H,4,8H2,1-3H3;1H/t6-;/s3
InChIKey: DODCBMODXGJOKD-FYZOBXCZSA-N
SMILES: [C@@H](N)(CC(C)C)C(=O)OC.Cl |&1:0,r|
CAS Datenbank: 5845 · 5845-53-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Sicherheitsdaten

hs_code: 29224999
safety_code: 24/25

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenD-Leucine methyl ester hydrochloride is a protected form of D-Leucine (L330150). D-Leucine is an unnatural isomer of L-Leucine (L330110) that acts as an auto-inhibitor of lactic streptococci in culture. D-Leucine causes analgesia in humans and also exhibits inhibitory activity in bacterial cell cultures.