CAS 54078-29-4|1,8-Diaza-9H-fluoren-9-one|6,10-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6,10,12-hexaen-8-one|6,10-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6,10,12-hexaen-8-one|9H-Pyrido[3',2...

General Information

Structure

Molecular Formula

C₁₁H₆N₂O

Molecular Mass

182.17814

Exact Mass

182.04801282

Charge

InChI

InChI=1S/C11H6N2O/c14-11-9-7(3-1-5-12-9)8-4-2-6-13-10(8)11/h1-6H

InChIKey

FOSUVSBKUIWVKI-UHFFFAOYSA-N

Canonic Smiles

O=C1c2ncccc2c2c1nccc2

Isomeric Smiles

n1cccc2c1C(=O)c1ncccc21

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.4428008

LogD (pH = 7.4)

1.4429325

Log P

1.4429342

Molar Refractivity

50.6539

Polarizability

20.847403

Polar Surface Area

42.85

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

1,8-Diaza-9H-fluoren-9-one9H-Pyrido[3',2':3,4]cyclopenta[1,2-b]pyridin-9-one9H-Cyclopenta[1,2-b:4,3-b']dipyridin-9-one9H-1,8-Diazafluoren-9-oneDFO1,8-Diazafluoren-9-one1,8-Diazafluoren-9-oneCyclopenta[1,2-b:4,3-b’]dipyridin-9-one

IUPAC Traditional name

6,10-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6,10,12-hexaen-8-one 6,10-diazatricyclo[7.4.0.0²,⁷]trideca-1(9),2,4,6,10,12-hexaen-8-one 1,8-diazafluoren-9-one

IUPAC name

6,10-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6,10,12-hexaen-8-one 6,10-diazatricyclo[7.4.0.0²,⁷]trideca-1(9),2,4,6,10,12-hexaen-8-one 6,10-diazatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaen-8-one

Names and Identifiers

Registration numbers

PubChem CID

725961

PubChem SID

16207300524860261

CAS Number

54078-29-4

Wikipedia Title

1,8-Diazafluoren-9-one

Chemspider ID

633891

MDL Number

MFCD00082335

Beilstein Number

134499

Registration numbers

Properties

Safety Information

Storage Warning

Irritant

MSDS Link

Download link

Personal Protective Equipment

Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Storage Temperature

2-8°C

German water hazard class

Physical Property

229-233 °C

λex 470 nm; λem 570 nm

acetic acid: soluble10 mg/mL, clear

Product Information

C11H6N2O

Rare Derivatives of Natural Compounds

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Wikipedia

1,8-Diazafluoren-9-one

Sigma Aldrich

33484

Other Notes
Reagent forming highly fluorescent derivatives with amino acids (excitation ~470 nm; emission ~570 nm). Used for the detection of latent fingerprints on paper with high sensitivity.1

Molecule Details

References

PubChem Literature

No Data Available

Click here to submit data

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

Synonyms

IUPAC Traditional name

6,10-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6,10,12-hexaen-8-one 6,10-diazatricyclo[7.4.0.0²,⁷]trideca-1(9),2,4,6,10,12-hexaen-8-one 1,8-diazafluoren-9-one

IUPAC name

Registration numbers

PubChem CID

725961

PubChem SID

16207300524860261

CAS Number

54078-29-4

Wikipedia Title

1,8-Diazafluoren-9-one

Chemspider ID

MDL Number

Beilstein Number

Molecule Details

1,8-Diazafluoren-9-one

Sigma Aldrich

33484

Other Notes
Reagent forming highly fluorescent derivatives with amino acids (excitation ~470 nm; emission ~570 nm). Used for the detection of latent fingerprints on paper with high sensitivity.1

References

PubChem Literature

No Data Available

Click here to submit data

Bioactivity

PubChem BioAssay

Properties

Safety Information

Storage Warning

Irritant

MSDS Link

Download link

Personal Protective Equipment

Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Storage Temperature

2-8°C

German water hazard class

Physical Property

229-233 °C

λex 470 nm; λem 570 nm

acetic acid: soluble10 mg/mL, clear

Product Information

C11H6N2O

Rare Derivatives of Natural Compounds

Molecule

ID:85889