Basic information
- CAS
487-59-2- Standard SMILES
CNC(Cc1c[nH]c2ccccc12)C(=O)O- InChIKey
CZCIKBSVHDNIDH-UHFFFAOYSA-N- Molecular formula
- C12H14N2O2
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.10552769
Overview
3-(1H-indol-3-yl)-2-(methylamino)propanoic acid is an alpha-amino acid.
Names & identifiers
- Preferred name
- Abrine (L)
- IUPAC
- 3-(1H-indol-3-yl)-2-(methylamino)propanoic acid
- English name
- N-Methyltryptophan
- Molecular formula
- C12H14N2O2
- Molecular weight
- 218.25
Names & synonyms
3-(1H-indol-3-yl)-2-(methylamino)propanoic acidABRINE (L)RefChem:1075143487-59-2Tryptophan, N-methyl-N-methyltryptophanN-Me-Trp-OHmethyl-dl-tryptophanSpectrum_001182SpecPlus_000633Spectrum2_001996Spectrum3_001529
Show more names
Spectrum4_001849Spectrum5_000358DL-Tryptophan, N-methyl-Nalpha-Methyl-L -tryptophanSCHEMBL18777BSPBio_002918KBioGR_002258KBioSS_001662
Database identifiers
- CAS
487-59-2、526-31-8- PubChem CID
- 914
- DTXSID
DTXSID40967027- ChEMBL
CHEMBL2360657- ChEBI
CHEBI:93824- Nikkaji
- J3.241.439G
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Melting point
- 245 °C · 245 °C (decomp)
- Boiling point
- 439.1 · 439.1±35.0 °C(Predicted)
- Density
- 1.272 · 1.272±0.06 g/cm3(Predicted)
- pka
- 2.32 · 2.32±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Additional notes
DefinitionChEBI: 3-(1H-indol-3-yl)-2-(methylamino)propanoic acid is an alpha-amino acid.
Related reactions
1 records
Compound notes
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