2-Amino-3-(m-tolyl)propanoic acid
Basic information
- CAS
2283-42-3- Standard SMILES
Cc1cccc(CC(N)C(=O)O)c1- InChIKey
JZRBSTONIYRNRI-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Overview
3-methylphenylalanine is a phenylalanine derivative that is phenylalanine substituted by a methyl group at position 3 of the phenyl ring. It is a phenylalanine derivative and a member of toluenes.
Names & identifiers
- Preferred name
- 2-Amino-3-(m-tolyl)propanoic acid
- IUPAC
- 2-amino-3-(3-methylphenyl)propanoic acid
- English name
- 2-Amino-3-m-tolyl-propionic acid
- Molecular formula
- C10H13NO2
- Molecular weight
- 179.22
Names & synonyms
2-Amino-3-(m-tolyl)propanoic acid2-amino-3-m-tolyl-propionic acid2-amino-3-(3-methylphenyl)propanoic acidMFCD05227937DL-3-METHYLPHENYLALANINE2283-42-33-METHYL-DL-PHENYLALANINE3-Methy-DL-PhenylalanineNSC14793alpha-Amino-3-methylbenzenepropionic acidSCHEMBL42906ss-m-Tolyl-a-amino-propionsaure
Show more names
3-MethylpheDL-3-Me-Phe-OH2-AMINO-3-M-TOLYL-PRPhenylalanine, 3-methyl-2-Amino-3-(m-tolyl)propanoicaci
CHEBI:2339532-Amino-3-(m-tolyl)propanoicacidNSC29447NSC-14793NSC-29447(R)-2-amino-3-m-tolylpropanoic acidAKOS000174493AKOS016843161
Database identifiers
- CAS
2283-42-3、5472-70-8- PubChem CID
- 225441
- ChEBI
CHEBI:233953- Nikkaji
- J1.101.610C
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Melting point
- 245 ℃ · 245℃
- Boiling point
- 322.8 · 322.8±30.0 °C(Predicted)
- Density
- 1.165 · 1.165
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 2.22 · 2.22±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2922498590 · 2922498590
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
- hs_code
- 2922498590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
1 records
Compound notes
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