CAS 769-42-6|1,3-dimethyl-1,3-diazinane-2,4,6-trione|1,3-Dimethylbarbituric acid|1,3-dimethyl-1,3-diazinane-2,4,6-trione|1,3-Dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione|1,3-Dimethylbarbituric acid|1,3-...

InChI=1S/C6H8N2O3/c1-7-4(9)3-5(10)8(2)6(7)11/h3H2,1-2H3

VVSASNKOFCZVES-UHFFFAOYSA-N

CN1C(=O)CC(=O)N(C1=O)C

N1(C(=O)N(C(=O)CC1=O)C)C

Acid pKa

3.870627

H Acceptors

H Donor

LogD (pH = 5.5)

-2.4512

LogD (pH = 7.4)

-3.8460877

Log P

-0.82369095

Molar Refractivity

35.7682

Polarizability

13.712134

Polar Surface Area

57.69

Rotatable Bonds

Lipinski's Rule of Five

true

IUPAC Traditional name

1,3-dimethyl-1,3-diazinane-2,4,6-trione

1,3-Dimethylbarbituric acid1,3-Dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione1,3-Dimethylbarbituric acid1,3-二甲基巴比妥酸1,3-二甲基-2,4,6(1H,3H,5H)-嘧啶三酮1,3-Dimethyl-2,4,6-pyrimidinetrione

1,3-dimethyl-1,3-diazinane-2,4,6-trione

121-123 °C(lit.)

121-123 °C

121-123°C

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318000

Packaging
500 g in glass bottle

39565

Packaging
50, 250 g in poly bottle

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Names and Identifiers

IUPAC Traditional name

1,3-dimethyl-1,3-diazinane-2,4,6-trione

Synonyms

IUPAC name

1,3-dimethyl-1,3-diazinane-2,4,6-trione

Registration numbers

MDL Number

EC Number

CAS Number

Beilstein Number

PubChem SID

2485910824864168162035770

PubChem CID

69860

Molecule Details

Sigma Aldrich

318000

Packaging
500 g in glass bottle

39565

Packaging
50, 250 g in poly bottle

References

PubChem Literature

No Data Available

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Bioactivity

PubChem BioAssay

GHS Signal Word

Danger

Risk Statements

22-41

GHS Pictograms

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

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

German water hazard class

Safety Statements

26-36/39

GHS Precautionary statements

P280-P305+P351+P338

P280-P301+P310-P305+P351+P338-P321-P405-P501A

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

European Hazard Symbols

Harmful (Xn)

Harmful (X)

Drug Control

regulated under CDSA - not available from Sigma-Aldrich Canada

GHS Hazard statements

H302-H318

H301-H318

Molecule

ID:70045