4,5-Dimethylisoxazol-3-amine

CAT: 0926-FD143991-01Size: 0.01 kgDry Ice: NoHazardous: No

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CAT#:0926-FD143991-01Size:0.01 kg

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CAS Number

13999-39-8

MDL Number

MFCD03411577

Smiles

CC1=C (ON=C1N) C

Molecular Formula

C5H8N2O

Molecular Weight

112.13 g/mol

Controlled

Chemical Information

4,5-Dimethylisoxazol-3-amine

CAS Number	13999-39-8
PubChem CID	84148
IUPAC Name	4,5-dimethyl-1,2-oxazol-3-amine
Molecular Formula	C5H8N2O
Molecular Weight	112.13
XLogP	0.8
Topological Polar Surface Area	52.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	86

SMILES

CC1=C(ON=C1N)C

InChI

InChI=1S/C5H8N2O/c1-3-4(2)8-7-5(3)6/h1-2H3,(H2,6,7)

InChIKey

VPANVNSDJSUFEF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13999-39-8

CID: 84148

Formula: C5H8N2O

MW: 112.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	112.13
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	112.063662883
Monoisotopic Mass	112.063662883
Topological Polar Surface Area	52.1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	86.5
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
FAB39225-01	4- (3,5-Dimethylisoxazol-4-yl) benzaldehyde
LKB85125-01	N,5-Dimethylisoxazol-3-ylmethylamine
KBA16620-01	1- (3,5-dimethylisoxazol-4-yl) ethan-1-one
BRB32820	N- (2- (3,4-dimethoxyphenyl) ethyl) (3,5-dimethylisoxazol-4-yl) formamide
FA17495-01	5-Amino-3,4-dimethylisoxazole
ALB80400-01	3,5-Dimethoxypyridin-4-amine
CHC37989-01	4,5-Dibromopyridin-3-amine
FB64807-01	3-Bromo-5-chloropyridine-4-amine
HMC26253-01	4,5,6-Trimethylpyridin-3-amine
GGD26887-01	4-Chloro-3-methylquinolin-5-amine

Catalog	Name
OR28683-01	3,4-Dimethylisoxazol-5-amine
sc-309725	3- (3,5-Dimethylisoxazol-4-yl) propan-1-amine
OR92921-01	3- (3,5-Dimethylisoxazol-4-yl) propan-1-amine hydrochloride
JH652536	(3,5-Dimethylisoxazol-4-yl) methanol
sc-347440A	(3,5-dimethylisoxazol-4-yl) methanethiol
sc-276547	(3,5-Dimethylisoxazol-4-yl) methylamine
OR322846	Phenyl 3,4-dimethylisoxazol-5-ylcarbamate
OR22988	3,5-Dimethylisoxazol-4-yl isothiocyanate
OR346484-01	4- (3,5-Dimethylisoxazol-4-yl) phenylamine
OR346482	4- (3,5-Dimethylisoxazol-4-yl) benzaldehyde