5-Methyl-DL-tryptophan
Grundinformationen
- CAS
951-55-3- Standard-SMILES
Cc1ccc2[nH]cc(CC(N)C(=O)O)c2c1- InChIKey
HUNCSWANZMJLPM-UHFFFAOYSA-N- Summenformel
- C12H14N2O2
- Durchschnittliche Molmasse
- 218,25 g/mol
- Monoisotopische Masse
- 218,10552769
Überblick
5-methyltryptophan is a tryptophan derivative that is tryptophan substituted by a methyl group at position 5 of the indole ring. It is a tryptophan derivative and a non-proteinogenic alpha-amino acid.
Namen und Bezeichner
- Bevorzugter Name
- 5-Methyl-DL-tryptophan
- IUPAC
- 2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid
- Lokaler Name
- 5-Methyl-DL-tryptophan
- Englischer Name
- 5-Methyl-DL-tryptophan
- Summenformel
- C12H14N2O2
- Molmasse
- 218.25
Namen und Synonyme
5-Methyl-DL-tryptophan951-55-32-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid5-Methyltryptophandl-5-MethyltryptophanCHEBI:52524DTXSID001314252DTXSID30934889RefChem:913531CHEBI:52446DTXCID60863254DTXCID001363528
Weitere Namen anzeigen
H-Trp(5-Me)-OHH-5-ME-DL-TRP-OHTIMTEC-BB SBB0033685-METHYL-DL-TRYPTOPHTryptophan Impurity 1015-Methyl-DL-tryptophan>5-Methyl-DL-tryptophan,98%
2-azaniumyl-3-(5-methyl-1H-indol-3-yl)propanoate213-453-65-METHYL-TRYPTOPHANMFCD00005652H-DL-Trp(5-Me)-OHSCHEMBL18029004CS-D02725-Methyl-DL-tryptophan (H-DL-Trp(5-Me)-OH)
Datenbank-Bezeichner
- CAS
951-55-3- PubChem CID
- 92852
- DTXSID
DTXSID001314252- ChEMBL
CHEMBL569600- ChEBI
CHEBI:52524- EC Number
- 213-453-6
- Nikkaji
- J237.470F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,7
- Polarare Oberfläche (TPSA)
- 79,1 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 270
Physikochemische Eigenschaften
- Schmelzpunkt
- 275 °C · ~275 °C (dec.)
- Siedepunkt
- 358.94 °C · 358.94°C (rough estimate)
- Dichte
- 1.1402 · 1.1402 (rough estimate)
- Brechungsindex
- 1.666 · 1.6660 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- Powder
- pka
- 2.26 · 2.26±0.10(Predicted)
- Farbe
- Off-white
- BRN
- 20225 · 20225
- Major Application
- peptide synthesis
- InChI
- 1S/C12H14N2O2/c1-7-2-3-11-9(4-7)8(6-14-11)5-10(13)12(15)16/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)
- InChIKey
- HUNCSWANZMJLPM-UHFFFAOYSA-N
- SMILES
- Cc1ccc2[nH]cc(CC(N)C(O)=O)c2c1
- CAS Datenbank
- 951 · 951-55-3(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsdaten
- F
- 8
- wgk
- 3
- hs_code
- 29339900
- safety_code
- 22-24/25
- Speicherklasse
- 11 - Combustible Solids
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