beta-(3-Pyridyl)-DL-alanine
Basic information
- CAS
17470-24-5- Standard SMILES
NC(Cc1cccnc1)C(=O)O- InChIKey
DFZVZEMNPGABKO-UHFFFAOYSA-N- Molecular formula
- C8H10N2O2
- Average molar mass
- 166.18 g/mol
- Monoisotopic mass
- 166.07422756
Overview
Beta-(3-Pyridyl)-DL-alanine is an organic molecular entity.
Names & identifiers
- Preferred name
- beta-(3-Pyridyl)-DL-alanine
- IUPAC
- 2-amino-3-pyridin-3-ylpropanoic acid
- English name
- 3-Pyridylalanine
- Molecular formula
- C8H10N2O2
- Molecular weight
- 166.18
Names & synonyms
17470-24-52-Amino-3-(pyridin-3-yl)propanoic acid3-(3-Pyridyl)-DL-alanine3-Pyridinepropanoic acid, alpha-amino-NSC-23042682667X5OWFBETA-(3-PYRIDYL)-DL-ALANINEUNII-82667X5OWFbeta-(3-Pyridyl)alanine, DL-.BETA.-(3-PYRIDYL)-DL-ALANINE.BETA.-(3-PYRIDYL)ALANINE, DL-3-PYRIDINEPROPANOIC ACID, .ALPHA.-AMINO-
Show more names
DL-3-Pal-OH3-PyridylalanineRARECHEM AK ML 0054H-DL-ALA(3-PYRI)-OHDL-Ala(3'-pyridyl)-OHH-DL-ALA(3'-PYRIDYL)-OHH-b-(3-Pyridyl)-DL-Ala-OHH-β-(3-Pyridyl)-DL-Ala-OH
RefChem:199800H-DL-3-PAL-OHMFCD022595252-amino-3-pyridin-3-ylpropanoic acid2-AMINO-3-(3-PYRIDYL)PROPANOIC ACID3-(3-pyridinyl)alanine3-(3'-PYRIDYL)-DL-ALANINEH-BETA-(3-PYRIDYL)-ALA-OH
Database identifiers
- CAS
17470-24-5- PubChem CID
- 314100
- DTXSID
DTXSID60901089- ChEBI
CHEBI:233113- UNII
- 82667X5OWF
- EC Number
- 108-469-4
Properties
Computed structural properties
- XLogP
- -2.5
- 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
- 161
Physicochemical properties
- Melting point
- 262 · 262-263 °C
- Boiling point
- 344.4 · 344.4±32.0 °C(Predicted)
- Density
- 1.271 · 1.271±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 1.95 · 1.95±0.10(Predicted)
- form
- solid
- Appearance
- White to off-white Solid
- InChI
- 1S/C8H10N2O2/c9-7(8(11)12)4-6-2-1-3-10-5-6/h1-3,5,7H,4,9H2,(H,11,12)
- InChIKey
- DFZVZEMNPGABKO-UHFFFAOYSA-N
- SMILES
- NC(Cc1cccnc1)C(O)=O
- FDA UNII
- 82667 X5OWF · 82667X5OWF
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
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
- wgk
- WGK 3
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P264-P270-P301+P310-P405-P501
Related reactions
3 records
Compound notes
Loading…