Isoxazol-4-amine

CAT: 0127-OR74643-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR74643-01Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

108511-97-3

MDL Number

MFCD08234629

Purity

98%

Smiles

NC1=CON=C1

Chemical Information

1,2-Oxazol-4-amine

CAS Number	108511-97-3
PubChem CID	13804278
IUPAC Name	1,2-oxazol-4-amine
Molecular Formula	C3H4N2O
Molecular Weight	84.08
XLogP	-0.3
Topological Polar Surface Area	52.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	6
Formal Charge	0
Complexity	48

SMILES

C1=C(C=NO1)N

InChI

InChI=1S/C3H4N2O/c4-3-1-5-6-2-3/h1-2H,4H2

InChIKey

CVCYZCBJCQXUCN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 108511-97-3

CID: 13804278

Formula: C3H4N2O

MW: 84.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	84.08
XLogP3	-0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	84.032362755
Monoisotopic Mass	84.032362755
Topological Polar Surface Area	52.1 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	48.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC4232	4- (4-Fluorophenyl) isoxazol-5-amine
OR91204-01	4-Bromobenzo[d]isoxazol-3-amine
PC905317-01	5- (4-Fluorophenyl) isoxazol-3-amine
OR925727-01	3- (4-Methoxyphenyl) isoxazol-5-amine
OR55634-01	4-Iodobenzo[D]isoxazol-3-amine
OR15271	3- (4-Bromophenyl) isoxazol-5-amine
PC110313-01	4-Chloro-3- (4-fluorophenyl) isoxazol-5-amine
PC111663-01	3- (3,4-Difluorophenyl) isoxazol-5-amine
OR43665	4- (Pyridin-3-yl) isoxazol-5-amine
OR90766-01	3- (Pyridin-4-yl) isoxazol-5-amine

Catalog	Name
270114-01	4- (4-Chlorophenyl) isoxazol-5-amine
TRC-I918133-1G	Isoxazol-5-amine
Fr13882	Isoxazol-3-amine
284394-01	3- (4-Methylphenyl) isoxazol-5-amine
277950-01	5- (4-Fluorophenyl) isoxazol-3-amine
MQB36755	4-Iodobenzo[D]isoxazol-3-amine
277936-01	3- (4-Fluorophenyl) isoxazol-5-amine
sc-473487	3- (4- (Trifluoromethyl) phenyl) isoxazol-5-amine
232543-01	4- (4-Chlorophenyl) isoxazol-5-amine 98+% (HPLC)
UAA79096	3- (Pyridin-4-yl) isoxazol-5-amine