L-4-Pyridylalanine
Basic information
- CAS
37535-49-2- Standard SMILES
N[C@@H](Cc1ccncc1)C(=O)O- InChIKey
FQFVANSXYKWQOT-ZETCQYMHSA-N- Molecular formula
- C8H10N2O2
- Average molar mass
- 166.18 g/mol
- Monoisotopic mass
- 166.07422756
Names & identifiers
- Preferred name
- L-4-Pyridylalanine
- IUPAC
- (2S)-2-amino-3-pyridin-4-ylpropanoic acid
- English name
- L-4-Pyridylalanine
- Molecular formula
- C8H10N2O2
- Molecular weight
- 166.18
Names & synonyms
L-4-PYRIDYLALANINERefChem:794417845-991-837535-49-23-(4-Pyridyl)-L-alanine(S)-2-Amino-3-(pyridin-4-yl)propanoic acidH-4-Pal-OH(2S)-2-amino-3-(pyridin-4-yl)propanoic acidMFCD01860883(2S)-2-amino-3-pyridin-4-ylpropanoic acid4-Pyridylalanine, L-X1XF0A3CPO
Show more names
H-4-PalL-4-Pal-OHH-L-4Pal-OH*HClH-ALA(4-PYRI)-OH4'-PYRIDYL-L-ALA
(2S)-2-azaniumyl-3-pyridin-4-ylpropanoateCHEMBL42491703-(4'-Pyridyl)-L-alanine3-(4-pyridinyl)alanineCID 70097003-(4-Pyridyl)-alanineL-Ala(4'-pyridyl)-OHL-3-(4-pyridyl)-alanine
Database identifiers
- CAS
37535-49-2- PubChem CID
- 7009701
- DTXSID
DTXSID60958619- ChEMBL
CHEMBL4249170- UNII
- X1XF0A3CPO
- EC Number
- 845-991-8
- Nikkaji
- J1.018.602A
Properties
Computed structural properties
- XLogP
- -2.6
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Melting point
- 260 · 260-262°C
- Boiling point
- 346.4 · 346.4±32.0 °C(Predicted)
- Density
- 1.271 · 1.271±0.06 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-5°C
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
- pka
- 1.95 · 1.95±0.10(Predicted)
- Appearance
- White to off-white Solid
- optical activity
- -11.667 ° · -11.667°(C=0.01 g/ml H2O)
- BRN
- 4351585 · 4351585
- Major Application
- peptide synthesis
- InChI
- 1S/C8H10N2O2/c9-7(8(11)12)5-6-1-3-10-4-2-6/h1-4,7H,5,9H2,(H,11,12)/t7-/m0/s1
- InChIKey
- FQFVANSXYKWQOT-ZETCQYMHSA-N
- SMILES
- N[C@@H](Cc1ccncc1)C(O)=O
- CAS DataBase Reference
- 37535 · 37535-49-2(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
Uses3-(4-Pyridyl)-L-alanine is a derivative of L-alanine (A481500), a non-essential amino acid that can be found naturally in the human body and is obtained by our diet.
Upstream & downstream products
Downstream products
Related reactions
1 records
Compound notes
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