2-(3-Isoxazolyl)ethylamine Hydrochloride - CAS 1314902-00-5
Catalog: |
BB007425 |
Product Name: |
2-(3-Isoxazolyl)ethylamine Hydrochloride |
CAS: |
1314902-00-5 |
Synonyms: |
2-(3-isoxazolyl)ethanamine;hydrochloride; 2-(1,2-oxazol-3-yl)ethanamine;hydrochloride |
IUPAC Name: | 2-(1,2-oxazol-3-yl)ethanamine;hydrochloride |
Description: | 2-(3-Isoxazolyl)ethylamine Hydrochloride (CAS# 1314902-00-5) is a useful research chemical. |
Molecular Weight: | 148.59 |
Molecular Formula: | C5H9ClN2O |
Canonical SMILES: | C1=CON=C1CCN.Cl |
InChI: | InChI=1S/C5H8N2O.ClH/c6-3-1-5-2-4-8-7-5;/h2,4H,1,3,6H2;1H |
InChI Key: | HCFKITWOYQTYKS-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2763990-A1 | Pyrrolopyrazine kinase inhibitors | 20110901 |
WO-2013030138-A1 | Pyrrolopyrazine kinase inhibitors | 20110901 |
Complexity: | 67.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 148.0403406 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.0403406 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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