AG003IV5

13999-39-8 | 3-Amino-4,5-dimethylisoxazole

AG003IV5

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CAS Number	13999-39-8
Catalog Number	AG003IV5(AGN-PC-0JLUX8)
Chemical Name	3-Amino-4,5-dimethylisoxazole
EC Number	237-802-7
IUPAC Name	4,5-dimethyl-1,2-oxazol-3-amine
InChI	InChI=1S/C5H8N2O/c1-3-4(2)8-7-5(3)6/h1-2H3,(H2,6,7)
InChI Key	VPANVNSDJSUFEF-UHFFFAOYSA-N
MDL Number	MFCD03411577
Molecular Formula	C5H8N2O
Molecular Weight	112.1298
SMILES	Cc1c(N)noc1C
Synonyms	3-Amino-4,5-Dimethylisoxazole, 13999-39-8, 4,5-Dimethylisoxazol-3-amine, dimethyl-1,2-oxazol-3-amine, 3-Amino-4,5-dimethyl isoxazole, 4,5-dimethyl-3-isoxazolamine, 3-Isoxazolamine, 4,5-dimethyl-, 3-Amino-4,5-dimethylisoxazol, 4,5-dimethylisoxazole-3-ylamine, 4,5-dimethyl-1,2-oxazol-3-amine, EINECS 237-802-7, PubChem4041, AC1L36VP, SCHEMBL1030891, Jsp002383, CTK0H5878, 4,5-dimethyl-isoxazol-3-ylamine, DTXSID60161207, VPANVNSDJSUFEF-UHFFFAOYSA-N, CS-D0788, KS-00000A5G, ZINC2524881, ANW-51528, CA-848, MFCD03411577, SBB059728, AKOS006277522, AN-1140, GS-3622, MCULE-9656458407, RP08511, TRA0021928, VO10039, AC-25136, AJ-37342, AK-27780, BR-27780, CJ-08802, EN000554, SC-01009, SY018148, 4,5-Dimethylisoxazol-3-amine, AldrichCPR, AB0020448, DB-012131, ST2410436, TL8000900, TR-005213, 4CH-009568, AM20080299, C3318, FT-0645806, ST51044633, V1317, S-5597, MFCD03411577 (97+%), 999A398, S14-1702, W-108210, Z1741974991, C5H8N2O, C5-H8-N2-O, CID84148,

Complexity	86.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	112.064g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	112.132g/mol
Monoisotopic Mass	112.064g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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