3-(2'-Pyridyl)-DL-alanine - CAS 17407-44-2
Catalog: |
BB012979 |
Product Name: |
3-(2'-Pyridyl)-DL-alanine |
CAS: |
17407-44-2 |
Synonyms: |
DL-Ala(2'-pyridyl)-OH; 2-Amino-3-(pyridin-2-yl)propionic acid; (RS)-2-Amino-3-pyridin-2-yl-propionic acid; C3-(2-Pyridyl)-DL-alanine |
IUPAC Name: | 2-amino-3-pyridin-2-ylpropanoic acid |
Description: | 3-(2'-Pyridyl)-DL-alanine (CAS# 17407-44-2) is a useful research chemical. |
Molecular Weight: | 166.17 |
Molecular Formula: | C8H10N2O2 |
Canonical SMILES: | C1=CC=NC(=C1)CC(C(=O)O)N |
InChI: | InChI=1S/C8H10N2O2/c9-7(8(11)12)5-6-3-1-2-4-10-6/h1-4,7H,5,9H2,(H,11,12) |
InChI Key: | PDRJLZDUOULRHE-UHFFFAOYSA-N |
Boiling Point: | 322.4±32.0 ℃ (Predicted) |
Melting Point: | 205.5-206 ℃ |
Purity: | ≥ 99 % |
Density: | 1.271±0.06 g/cm3(Predicted) |
Storage: | Store at 2-8 ℃ |
LogP: | 0.73630 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021116357-A1 | Interleukin-4-induced gene 1 (il4i1) and respective metabolites as biomarkers for cancer | 20191210 |
WO-2021110860-A1 | Reactive conjugates | 20191203 |
WO-2020214518-A1 | Methods of treating renal conditions using peptides that improve mitochondrial function | 20190418 |
US-2020347009-A1 | Bicyclic compounds | 20190416 |
WO-2020214734-A1 | Bicyclic compounds | 20190416 |
PMID | Publication Date | Title | Journal |
11245851 | 20010309 | Potentiation by endothelin-1 of vasoconstrictor response in stroke-prone spontaneously hypertensive rats | European journal of pharmacology |
8867097 | 19960307 | The effect of Phoneutria nigriventer (armed spider) venom on arterial blood pressure of anaesthetised rats | European journal of pharmacology |
Complexity: | 161 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.074227566 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 76.2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -2.4 |
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