AG0080L6

131052-58-9 | Isoxazol-3-ylmethanamine

AG0080L6

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CAS Number	131052-58-9
Catalog Number	AG0080L6(AGN-PC-003O27)
Chemical Name	Isoxazol-3-ylmethanamine
IUPAC Name	1,2-oxazol-3-ylmethanamine
InChI	InChI=1S/C4H6N2O/c5-3-4-1-2-7-6-4/h1-2H,3,5H2
InChI Key	NRYCMMCUURADTR-UHFFFAOYSA-N
MDL Number	MFCD06738791
Molecular Formula	C4H6N2O
Molecular Weight	98.1032
SMILES	NCC1=NOC=C1
Synonyms	131052-58-9, Isoxazol-3-ylmethanamine, 1,2-oxazol-3-ylmethanamine, 3-Isoxazolemethanamine, C-ISOXAZOL-3-YL-METHYLAMINE, (isoxazol-3-ylmethyl)amine, 3-ISOXAZOLEMETHAMINE, aminomethylisoxazole, ACMC-20adug, 3-aminomethylisoxazole, Isoxazol-3-yl-methylamine, 3-ISOXAZOLYLMETHANAMINE, (1,2-oxazol-3-yl)methanamine, CTK0H3856, NRYCMMCUURADTR-UHFFFAOYSA-N, ANW-68870, MFCD06738791, ZINC23529026, AKOS004120460, MCULE-4678014837, PB24935, AJ-81762, SC-51448, DB-003367, TC-157615, AM20080222, C2354, CS-0052745, FT-0686492, Q-2414, Z1318513970, (3-isoxazolylmethyl)amine hydrochloride,

Complexity	57.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	98.048g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	98.105g/mol
Monoisotopic Mass	98.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	52A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
UN Code	UN 2735

Certificate of Analysis

Lot Number