Methyl-L-tryptophanatmonohydrochlorid

Methyl tryptophanate hydrochloride

HCID 2734891

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Grundinformationen

CAS: 7524-52-9
Standard-SMILES: COC(=O)[C@@H](N)Cc1c[nH]c2ccccc12.Cl
InChIKey: XNFNGGQRDXFYMM-PPHPATTJSA-N
Summenformel: C12H15ClN2O2
Durchschnittliche Molmasse: 254,71 g/mol
Monoisotopische Masse: 254,0822054

Namen und Bezeichner

Bevorzugter Name: Methyl tryptophanate hydrochloride
IUPAC: methyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate;hydrochloride
Lokaler Name: Methyl-L-tryptophanatmonohydrochlorid
Englischer Name: Methyl L-tryptophanate hydrochloride
Summenformel: C12H15ClN2O2
Molmasse: 254.71

Namen und Synonyme

7524-52-9L-Tryptophan methyl ester hydrochlorideMethyl L-tryptophanate HClEINECS 231-385-5UNII-AU62O6861LMethyl tryptophanate hydrochlorideAU62O6861LMETHYL TRYPTOPHANATE HCL(S)-Tryptophan Methyl Ester MonohydrochlorideDTXSID10226219L-TRYPTOPHAN, METHYL ESTER, HYDROCHLORIDE (1:1)RefChem:158052

Weitere Namen anzeigen

H-Trp-OmeL-Trp-OMe.HCLH-TRP-OME·HCL(S)-Methyl 2-aMino-3-(1H-indol-3-yl)propanoate hydrochlorideTrp-Ome.HClH-Trp-OMe·HCH-TRP-OME HCLH-L-Trp-OMe*HClTRYPTOPHAN-OME HCL

L-Tryptophan, methyl ester, monohydrochlorideDTXCID60148710METHYL TRYPTOPHANATE HCL [INCI]L-(-)-Tryptophan Methyl Ester HydrochlorideTRYPTOPHAN METHYL ESTER MONOHYDROCHLORIDE(S)-TRYPTOPHAN METHYL ESTER HYDROCHLORIDETRYPTOPHAN, METHYL ESTER, MONOHYDROCHLORIDE, L-231-385-5

Datenbank-Bezeichner

CAS: 7524-52-9
PubChem CID: 2734891
DTXSID: DTXSID10226219
ChEMBL: CHEMBL1222005
UNII: AU62O6861L
EC Number: 231-385-5

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 68,1 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 17
Formalladung: 0
Komplexität: 257

Physikochemische Eigenschaften

Schmelzpunkt: 218 · 218-220 °C(lit.)
Brechungsindex: 19.5 ° · 19.5 ° (C=5, MeOH)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Sparingly)
Aggregatzustand: Powder
Farbe: White to off-white
BRN: 4240280 · 4240280
Major Application: peptide synthesis
Kosmetik-Inhaltsstoffe Funktionen: HAIR CONDITIONING
InChI: InChI=1/C12H14N2O2.ClH/c1-16-12(15)10(13)6-8-7-14-11-5-3-2-4-9(8)11;/h2-5,7,10,14H,6,13H2,1H3;1H/t10-;/s3
InChIKey: XNFNGGQRDXFYMM-MEQOOBBNNA-N
SMILES: C12C=CC=CC=1NC=C2C[C@H](N)C(=O)OC.Cl |&1:10,r|
CAS Datenbank: 7524 · 7524-52-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): 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)

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

Gefahrenhinweise

Regulatory InformationL-Tryptophan, methyl ester, monohydrochloride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29339900
hazard_code: Xi
safety_code: 22-24/25
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen

VerwendenMethyl L-tryptophanate hydrochloride may be used to prepare the corresponding amino acid amide L-Tryptophanamide Hydrochloride (Cat. #T89550)