3-Methylisoxazol-4-amine

CAT: 0127-OR1035372-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1035372-01Size:50 mg

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CAS Number

354795-62-3

Purity

98%

Smiles

CC1=NOC=C1N

Chemical Information

3-Methyl-1,2-oxazol-4-amine

CAS Number	354795-62-3
PubChem CID	13804284
IUPAC Name	3-methyl-1,2-oxazol-4-amine
Molecular Formula	C4H6N2O
Molecular Weight	98.10
XLogP	0.1
Topological Polar Surface Area	52.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	66

SMILES

CC1=NOC=C1N

InChI

InChI=1S/C4H6N2O/c1-3-4(5)2-7-6-3/h2H,5H2,1H3

InChIKey

BNOWDJRGXLVJHD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 354795-62-3

CID: 13804284

Formula: C4H6N2O

MW: 98.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	98.10
XLogP3	0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	98.048012819
Monoisotopic Mass	98.048012819
Topological Polar Surface Area	52.1 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	66.7
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
OR1075093-01	5-Methylisoxazol-4-amine
OR1051432	4-Methylisoxazol-5-amine
OR1011460-01	4-Bromo-3-Methylisoxazol-5-Amine
OR1049231-01	4-Iodo-3-methylisoxazol-5-amine
OR21353	4-bromo-5-methylisoxazol-3-amine
OR1054350-01	4- (4-Bromophenyl) -3-methylisoxazol-5-amine
OR1002863-01	N- (4-chlorobenzyl) -5-methylisoxazol-3-amine
BUP23402-01	N-methyl- (3-methylisoxazol-5-ylmethyl) amine
OR1032517-01	4-Bromo-5-methylisoxazol-3-ol
OR0144-01	4-Amino-N- (5-methylisoxazol-3-yl) benzenesulphonamide

Catalog	Name
BAA75043-01	4-Methylisoxazol-3-amine
HY-70065-01	4-Chloro-3-methylisoxazol-5-amine
sc-349548A	4-iodo-3-methylisoxazol-5-amine
sc-267324	4-bromo-5-methylisoxazol-3-amine
HY-W041676-01	5-Methylisoxazol-3-amine
RG-M202502-01	3-Methylisoxazol-5-Amine
sc-347635A	4- (2-chlorophenyl) -3-methylisoxazol-5-amine
sc-345891A	3-[2- (4-methoxyphenyl) vinyl]-5-methylisoxazol-4-amine
ZAC94791	(4-aza-4- (5-methylisoxazol-3-yl) buta-1,3-dienyl) (5-methylisoxazol-3-yl) amine, hydrochloride
GTR19251578-01	N-methyl- (3-methylisoxazol-5-ylmethyl) amine