AG0080L7

131052-47-6 | 3,5-DIMETHYL-4-ISOXAZOLEMETHANAMINE

AG0080L7

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CAS Number	131052-47-6
Catalog Number	AG0080L7(AGN-PC-0NEJ6A)
Chemical Name	3,5-DIMETHYL-4-ISOXAZOLEMETHANAMINE
IUPAC Name	(3,5-dimethyl-1,2-oxazol-4-yl)methanamine
InChI	InChI=1S/C6H10N2O/c1-4-6(3-7)5(2)9-8-4/h3,7H2,1-2H3
InChI Key	CXRIJWLNQSZJTG-UHFFFAOYSA-N
MDL Number	MFCD06213033
Molecular Formula	C6H10N2O
Molecular Weight	126.1564
SMILES	CC1=NOC(C)=C1CN
Synonyms	131052-47-6, (3,5-dimethylisoxazol-4-yl)methylamine, (3,5-Dimethylisoxazol-4-yl)methanamine, 4-Aminomethyl-3,5-dimethylisoxazole, (3,5-dimethyl-1,2-oxazol-4-yl)methanamine, (dimethyl-1,2-oxazol-4-yl)methanamine, 4-Isoxazolemethanamine, 3,5-dimethyl-, 3,5-dimethyl-4-isoxazolemethanamine, (3,5-Dimethylisoxazol-4-yl)methylamine hydrochloride, 4-Isoxazolemethanamine,3,5-dimethyl-, 4-(Aminomethyl)-3,5-dimethylisoxazole, 1-(3,5-dimethyl-1,2-oxazol-4-yl)methanamine, C-(3,5-Dimethyl-isoxazol-4-yl)-methylamine, PubChem8666, ACMC-1BY1Y, AC1Q2Q8I, SCHEMBL3906075, CTK4B7052, KS-00000NEX, DTXSID00452005, CXRIJWLNQSZJTG-UHFFFAOYSA-N, ALBB-000222, ZINC9418443, BBL015785, CD-865, MFCD06213033, SBB046717, STK502098, AKOS002160479, BS-3759, CS-W006542, MCULE-7888853017, RTR-004238, AJ-59541, AK-33105, AN-32290, SY035342, C-(3,5-Dimethylisoxazol-4-yl)methylamine, AB0100701, DB-010798, TR-004238, 3,5-dimethyl-4-isoxazolemethanamine 97.0%, BB 0253877, FT-0646793, R9113, ST45238597, EN300-55098, MFCD06213033 (95%), A23382, 4-aminomethyl-3,5-dimethylisoxazole, AldrichCPR, 052D476, 1-(3,5-dimethylisoxazol-4-yl)methanamine(saltdata: 1.1hcl), (3,5-dimethylisoxazol-4-yl)methylamine, 4-(aminomethyl)-3,5-dimethyl-1,2-oxazole, CID11018874,

Complexity	97.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	126.079g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	126.159g/mol
Monoisotopic Mass	126.079g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	52A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number