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Isoxazol-5-amine

CAT: 0572-TRC-I918133-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-I918133-1GSize:1 g
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CAS Number
14678-05-8
Hazard Statement
Causes skin irritation
Smiles
NC1=CC=NO1
Molecular Formula
C3H4N2O
Molecular Weight
84.08
InChI
InChI=1S/C3H4N2O/c4-3-1-2-5-6-3/h1-2H,4H2
Additionnal Information
IUPAC name: isoxazol-5-amine

Chemical Information

5-Aminoisoxazole

structure in first source

CAS Number14678-05-8
PubChem CID84591
IUPAC Name1,2-oxazol-5-amine
Molecular FormulaC3H4N2O
Molecular Weight84.08
XLogP0
Topological Polar Surface Area52.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count6
Formal Charge0
Complexity48
SMILES
C1=C(ON=C1)N
InChI
InChI=1S/C3H4N2O/c4-3-1-2-5-6-3/h1-2H,4H2
InChIKey
IAXWZYXUKABJAN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Aminoisoxazole
CAS: 14678-05-8
CID: 84591
Formula: C3H4N2O
MW: 84.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight84.08
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass84.032362755
Monoisotopic Mass84.032362755
Topological Polar Surface Area52.1 Ų
Heavy Atom Count6
Formal Charge0
Complexity48.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
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TRC-D474385-1G(3,5-Dimethyl-isoxazol-4-yl)-acetic acid
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Alternative Products

CatalogName
452783-01Isoxazol-5-amine
FB143763-01Benzo[d]isoxazol-5-amine
PC101537-015- (Trifluoromethyl) isoxazol-3-amine
OR74643-01Isoxazol-4-amine
Fr13882Isoxazol-3-amine
PC110746-013- (3,5-Difluorophenyl) isoxazol-5-amine
OR1062093-015- (1-Methylcyclopropyl) isoxazol-3-amine
OR1032828-013- (2-Iodophenyl) isoxazol-5-amine
PC200595-013- (3-Fluorophenyl) isoxazol-5-amine
MXB92744-01Isoxazol-5-ylmethyl-methyl-amine Hydrochloride

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