6-Methyl-DL-tryptophan
Basic information
- CAS
2280-85-5- Standard SMILES
Cc1ccc2c(CC(N)C(=O)O)c[nH]c2c1- InChIKey
GDMRVYIFGPMUCG-UHFFFAOYSA-N- Molecular formula
- C12H14N2O2
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.10552769
Overview
D,L-6-methyltryptophan has been reported in Aspergillus fumigatus with data available.
Names & identifiers
- Preferred name
- 6-Methyl-DL-tryptophan
- IUPAC
- 2-amino-3-(6-methyl-1H-indol-3-yl)propanoic acid
- English name
- 6-Methyl-DL-tryptophan
- Molecular formula
- C12H14N2O2
- Molecular weight
- 218.25
Names & synonyms
6-Methyl-DL-tryptophan2280-85-5DTXSID801314256RefChem:1074082DTXCID701450378218-916-62-amino-3-(6-methyl-1H-indol-3-yl)propanoic acidMFCD00022772DL-2-Amino-3-(6-methylindolyl)propionic acidEINECS 218-916-66-Methyltryptophan #SCHEMBL503549
Show more names
H-Trp(6-Me)-OHH-6-ME-DL-TRP-OHH-DL-Trp(6-Me)-OH-DL-Trp(6-Me)-OHDL-6-MethyltryptophanTryptophan, 6-methyl-6-METHIONINE-TRYPTOPHAN6-METHYL-DL-TRYPTOPHAN USP/EP/BP
CHEMBL538703orb2940960NSC1461IBA46834NSC 14616-Methyl-DL-tryptophan, crystallineTXB-00157AKOS015962272
Database identifiers
- CAS
2280-85-5- PubChem CID
- 95319
- DTXSID
DTXSID801314256- ChEMBL
CHEMBL538703- EC Number
- 218-916-6
- Nikkaji
- J3.241.437K
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 79.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Melting point
- 290 °C · 290 °C (dec.)
- Boiling point
- 447.399 · 447.399±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.314 · 1.314±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C
- form
- crystalline
- pka
- 2.256 · 2.256±0.10(predicted)
- color
- light yellow to orange
- BRN
- 17684 · 17684
- InChI
- 1S/C12H14N2O2/c1-7-2-3-9-8(5-10(13)12(15)16)6-14-11(9)4-7/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)
- InChIKey
- GDMRVYIFGPMUCG-UHFFFAOYSA-N
- SMILES
- Cc1ccc2c(CC(N)C(O)=O)c[nH]c2c1
- CAS DataBase Reference
- 2280 · 2280-85-5(CAS DataBase Reference)
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 26 · NA.26
- Symbol(GHS)
- 7 · GHS07
- Signal word
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 8
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses6-Methyl-DL-tryptophan is a kind of biochemical reagent.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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