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N-Methyl-5-phenyl-3-isoxazolemethanamine hydrochloride

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

Technical Data

Safety and Hazards

Computed Properties

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%

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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