CAS 2475-44-7|1,4-bis(methylamino)-9,10-dihydroanthracene-9,10-dione|1,4-bis(methylamino)anthracene-9,10-dione|C.I. 61550|DISPERSE BLUE 14|Disperse Blue 14|Disperse Blue 14|1,4-双(甲基氨基)蒽醌|1,4-...

General Information

Structure

Molecular Formula

C₁₆H₁₄N₂O₂

Molecular Mass

266.29456

Exact Mass

266.1055277

Charge

InChI

InChI=1S/C16H14N2O2/c1-17-11-7-8-12(18-2)14-13(11)15(19)9-5-3-4-6-10(9)16(14)20/h3-8,17-18H,1-2H3

InChIKey

QOSTVEDABRQTSU-UHFFFAOYSA-N

Canonic Smiles

CNc1ccc(c2c1C(=O)c1ccccc1C2=O)NC

Isomeric Smiles

CNc1c2C(=O)c3c(cccc3)C(=O)c2c(NC)cc1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.1357489

LogD (pH = 7.4)

3.1638916

Log P

3.1642623

Molar Refractivity

81.5386

Polarizability

29.26497

Polar Surface Area

58.2

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC name

1,4-bis(methylamino)-9,10-dihydroanthracene-9,10-dione

IUPAC Traditional name

1,4-bis(methylamino)anthracene-9,10-dione

Synonyms

C.I. 61550DISPERSE BLUE 14Disperse Blue 14Disperse Blue 141,4-双(甲基氨基)蒽醌1,4-Bis(methylamino)anthraquinoneC.I. 61500

Names and Identifiers

Registration numbers

CAS Number

EC Number

PubChem CID

PubChem SID

Color Index Number

MDL Number

Beilstein Number

Registration numbers

Properties

Product Information

Purity

Dye Content ~25%

95%

Certificate of Analysis

Download link

Empirical Formula (Hill Notation)

C16H14N2O2

Compostion

Dye content, 97%

Safety Information

Room Temperature (15-30°C)

Download link

CB5750000

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

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

MP Biomedicals

02157876

C.I. 61500
Dye content: ~ 25%

Sigma Aldrich

367648

Packaging
5, 25 g in glass bottle

Molecule Details

References

PubChem Literature

No Data Available

Click here to submit data

References

Bioactivity

PubChem BioAssay

Bioactivity

Data Source

Academic Data

Commercial Catalog

Names and Identifiers

IUPAC name

1,4-bis(methylamino)-9,10-dihydroanthracene-9,10-dione

IUPAC Traditional name

1,4-bis(methylamino)anthracene-9,10-dione

Synonyms

C.I. 61550DISPERSE BLUE 14Disperse Blue 14Disperse Blue 141,4-双(甲基氨基)蒽醌1,4-Bis(methylamino)anthraquinoneC.I. 61500

Registration numbers

CAS Number

EC Number

PubChem CID

PubChem SID

Color Index Number

MDL Number

Beilstein Number

Molecule Details

C.I. 61500
Dye content: ~ 25%

Sigma Aldrich

367648

Packaging
5, 25 g in glass bottle

References

PubChem Literature

No Data Available

Click here to submit data

Bioactivity

PubChem BioAssay

Properties

Product Information

Purity

Dye Content ~25%

95%

Certificate of Analysis

Download link

Empirical Formula (Hill Notation)

C16H14N2O2

Compostion

Dye content, 97%

Safety Information

Room Temperature (15-30°C)

Download link

CB5750000

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

Molecule

ID:104951