CAS 916792-12-6|4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-amine|4,6-Dimethylisoxazolo[5,4-b]pyridin-3-ylamine|4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-amine|3-氨基-4,6-二甲基异噁唑[5,4-b]吡啶|4,6-D...

Molecular Formula

C₈H₉N₃O

Molecular Mass

163.17656

Exact Mass

163.07456192

InChI

InChI=1S/C8H9N3O/c1-4-3-5(2)10-8-6(4)7(9)11-12-8/h3H,1-2H3,(H2,9,11)

InChIKey

DYMSNXTUZQZFSM-UHFFFAOYSA-N

Canonic Smiles

Cc1cc(C)c2c(n1)onc2N

Isomeric Smiles

Nc1c2c(nc(cc2C)C)on1

JChem

Acid pKa

16.390842

H Acceptors

H Donor

LogD (pH = 5.5)

0.9167585

LogD (pH = 7.4)

0.91678154

Log P

0.91678184

Molar Refractivity

46.27

Polarizability

16.937761

Polar Surface Area

64.94

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

24208795

Synonyms

4,6-Dimethylisoxazolo[5,4-b]pyridin-3-ylamine3-氨基-4,6-二甲基异噁唑[5,4-b]吡啶4,6-Dimethylisoxazolo[5,4-b]pyridin-3-amine3-Amino-4,6-dimethylisoxazolo[5,4-b]pyridine

IUPAC Traditional name

4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-amine

IUPAC name

4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-amine

MDL Number

CAS Number

PubChem SID

PubChem CID

Safety Information

Storage Warning

IRRITANT

MSDS Link

Download link

TSCA Listed

false

否

Safety Statements

26-37

H315-H319-H335

36/37/38

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

P261-P305+P351+P338-P302+P352-P321-P405-P501A

Irritant (Xi)

Product Information

97%

95%

Physical Property

157-159°C

No Data Available

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Academic Data

PubChem

24208795

Synonyms

4,6-Dimethylisoxazolo[5,4-b]pyridin-3-ylamine3-氨基-4,6-二甲基异噁唑[5,4-b]吡啶4,6-Dimethylisoxazolo[5,4-b]pyridin-3-amine3-Amino-4,6-dimethylisoxazolo[5,4-b]pyridine

IUPAC Traditional name

4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-amine

IUPAC name

4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-amine

MDL Number

CAS Number

PubChem SID

PubChem CID

No Data Available

Click here to submit data

Safety Information

Storage Warning

IRRITANT

MSDS Link

Download link

TSCA Listed

false

否

Safety Statements

26-37

H315-H319-H335

36/37/38

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

P261-P305+P351+P338-P302+P352-P321-P405-P501A

Irritant (Xi)

Product Information

97%

95%

Physical Property

157-159°C

Molecule

ID:22241