methyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate hydrochloride

HCID 11448200

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Grundinformationen

CAS: 14907-27-8
Standard-SMILES: COC(=O)[C@H](N)Cc1c[nH]c2ccccc12.Cl
InChIKey: XNFNGGQRDXFYMM-HNCPQSOCSA-N
Summenformel: C12H15ClN2O2
Durchschnittliche Molmasse: 254,71 g/mol
Monoisotopische Masse: 254,0822054

Namen und Bezeichner

Bevorzugter Name: methyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate hydrochloride
IUPAC: methyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate;hydrochloride
Englischer Name: D-Tryptophan methyl ester hydrochloride
Summenformel: C12H15ClN2O2
Molmasse: 254.71

Namen und Synonyme

methyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate hydrochlorideD-Tryptophan, methyl ester, hydrochloride (1:1)RefChem:812034639-469-7D-Tryptophan methyl ester hydrochloride14907-27-8H-D-Trp-OMe.HCl(R)-Methyl 2-amino-3-(1H-indol-3-yl)propanoate hydrochloridemethyl D-tryptophanate hydrochlorideH-D-Trp-OMe HClMFCD00038992SCHEMBL475266

Weitere Namen anzeigen

D-TRYPTOPHAN METHYL ESTERTrp-OMeANAM-002D-TRP.OME.HCLD-Trp-OCH3.HclH-D-TRP-OME·HCLD-Tryptophan methyl

methyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate;hydrochlorideEC 639-469-7D-TRYPTOPHANE METHYL ESTER HCL(D)-tryptophan methyl ester hydrochloride(R)-Tryptophane methyl ester hydrochloride[(2R)-3-(1H-Indol-3-yl)-1-methoxy-1-oxopropan-2-yl]azanium;chlorideZ1536943518D-TRYPTOPHAN METHYL ESTER HCL

Datenbank-Bezeichner

CAS: 14907-27-8
PubChem CID: 11448200
DTXSID: DTXSID90466232
UNII: 4AD8W26KPC
EC Number: 639-469-7

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: 213 · 213-216 °C(lit.)
Dichte: 1.337 g/cm3 · 1.337g/cm3 at 20℃
Brechungsindex: -19 ° · -19 ° (C=5, MeOH)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: DMSO, (Slightly), Methanol (Slightly), Water (Slightly)
Aggregatzustand: Solid
Farbe: White to Off-White
Wasserlöslichkeit: Soluble in water (150 mg/ml), dimethyl sulfoxide and methanol (50 mg/ml).
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|
LogP: 1.089 · 1.089
CAS Datenbank: 14907 · 14907-27-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Danger

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationREACH registered substance: methyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate hydrochloride (EC: 639-469-7)

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

Sicherheitsdaten

wgk: 3
hs_code: 29339900
safety_code: 24/25
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 2 Einträge

BeschreibungD-Tryptophan Methyl Ester Hydrochloride is an intermediate in the synthesis of Tryptophan derivatives. Soluble in water (150 mg/ml), dimethyl sulfoxide and methanol (50 mg/ml). Incompatible with strong oxidizing agents. Store under room temperature.

VerwendenD-Tryptophan Methyl Ester Hydrochloride is an intermediate in the synthesis of Tryptophan derivatives.