5-(Aminomethyl)isoxazole Hydrochloride - CAS 440099-32-1
Catalog: |
BB025511 |
Product Name: |
5-(Aminomethyl)isoxazole Hydrochloride |
CAS: |
440099-32-1 |
Synonyms: |
5-isoxazolylmethanamine;hydrochloride; 1,2-oxazol-5-ylmethanamine;hydrochloride |
IUPAC Name: | 1,2-oxazol-5-ylmethanamine;hydrochloride |
Description: | 5-(Aminomethyl)isoxazole Hydrochloride (CAS# 440099-32-1) is a useful research chemical. |
Molecular Weight: | 134.56 |
Molecular Formula: | C4H7ClN2O |
Canonical SMILES: | C1=C(ON=C1)CN.Cl |
InChI: | InChI=1S/C4H6N2O.ClH/c5-3-4-1-2-6-7-4;/h1-2H,3,5H2;1H |
InChI Key: | PRNKBQWBHXELQZ-UHFFFAOYSA-N |
LogP: | 1.63560 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2019389854-A1 | Therapeutic componds and methods of use thereof | 20180620 |
US-11014921-B2 | Therapeutic compounds and methods of use thereof | 20180620 |
US-10689367-B2 | Triazole pyridyl compounds as agonists of the APJ receptor | 20161116 |
US-2019300507-A1 | Triazole pyridyl compounds as agonists of the apj receptor | 20161116 |
EP-3541803-B1 | Triazole pyridyl compounds as agonists of the apj receptor | 20161116 |
Complexity: | 57.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 134.0246905 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 134.0246905 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 52 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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