N-Methyl-5-phenyl-3-isoxazolemethanamine hydrochloride - CAS 852227-91-9
Catalog: |
BB053517 |
Product Name: |
N-Methyl-5-phenyl-3-isoxazolemethanamine hydrochloride |
CAS: |
852227-91-9 |
Synonyms: |
N-methyl(5-phenylisoxazol-3-yl)methanamine hydrochloride |
IUPAC Name: | N-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine;hydrochloride |
Molecular Weight: | 224.68 |
Molecular Formula: | C11H13ClN2O |
Canonical SMILES: | CNCC1=NOC(=C1)C2=CC=CC=C2.Cl |
InChI: | InChI=1S/C11H12N2O.ClH/c1-12-8-10-7-11(14-13-10)9-5-3-2-4-6-9;/h2-7,12H,8H2,1H3;1H |
InChI Key: | IQAKKFFFHDBEQB-UHFFFAOYSA-N |
Purity: | 95% |
GHS Hazard Statement: | H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]; 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, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.0716407 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.0716407 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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