CAS 56512-49-3|4-Dimethylaminoazobenzene-4'-sulfonyl chloride|4-二甲氨基偶氮苯-4'-磺酰氯|Dabsyl chloride|4-[(E)-2-[4-(dimethylamino)phenyl]diazen-1-yl]benzenesulfonyl chloride|4-[(E)-2-[4-(dimethyla...

General Information

Structure

Molecular Formula

C₁₄H₁₄ClN₃O₂S

Molecular Mass

323.79786

Exact Mass

323.04952538

Charge

InChI

InChI=1S/C14H14ClN3O2S/c1-18(2)13-7-3-11(4-8-13)16-17-12-5-9-14(10-6-12)21(15,19)20/h3-10H,1-2H3

InChIKey

VTVWTPGLLAELLI-UHFFFAOYSA-N

Canonic Smiles

CN(c1ccc(cc1)/N=N/c1ccc(cc1)S(=O)(=O)Cl)C

Isomeric Smiles

CN(C)c1ccc(cc1)/N=N/c1ccc(cc1)S(=O)(=O)Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.428272

LogD (pH = 7.4)

4.43342

Log P

4.4334865

Molar Refractivity

88.9998

Polarizability

32.430676

Polar Surface Area

62.1

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

4-Dimethylaminoazobenzene-4'-sulfonyl chloride4-二甲氨基偶氮苯-4'-磺酰氯Dabsyl chloride4-DIMETHYLAMINOAZOBENZENE-4'-SULFONYL CHLORIDEDABS-Cl4-(4-Dimethylaminophenylazo)benzenesulfonyl chloride4-二甲胺基苯基偶氮苯磺酰氯4-(Dimethylamino)azobenzene-4′-sulfonyl chloride4-(N,N-二甲基氨基)偶氮苯-4'-磺酸氯4-(二甲氨基)偶氮苯-4′-磺酰氯Dabsyl chloride4-(Dimethylamino)azobenzene-4′-sulfonyl chloride4-二甲胺基苯基偶氮苯磺酰氯4-(二甲氨基)偶氮苯-4′-磺酰氯

IUPAC Traditional name

4-[(E)-2-[4-(dimethylamino)phenyl]diazen-1-yl]benzenesulfonyl chloride 4-{2-[4-(dimethylamino)phenyl]diazen-1-yl}benzenesulfonyl chloride

IUPAC name

4-[(E)-2-[4-(dimethylamino)phenyl]diazen-1-yl]benzene-1-sulfonyl chloride 4-{2-[4-(dimethylamino)phenyl]diazen-1-yl}benzene-1-sulfonyl chloride

Names and Identifiers

Registration numbers

EC Number

260-235-1

CAS Number

56512-49-3

PubChem SID

1620903502486433724873345

PubChem CID

91660

Beilstein Number

3064095

MDL Number

MFCD00007444

Registration numbers

Properties

Physical Property

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

MP Biomedicals

02150931

Chromophoric label for amino acids, peptides and proteins.

Sigma Aldrich

226262

Application
Chromophoric labeling reagent for amino acids.1,2,3

39068

Application
For the qualitative and quantitative identification of amino acids and for the determination of N-terminal amino acids.1,2,3 Used in the determination of primary and secondary amines by HPLC.4
Packaging
1, 5 g in glass bottle
250 mg in glass bottle

502219

General description
Derivatization Reagent for HPLCDabsyl chloride (4-Dimethylamino-azobenzene-4-sulphonyl chloride)Precolumn reagent used in HPLC for derivatizing amino acids. Dabsyl-amino acids can be separated by reversed phase HPLC and detected in the visible region.

Molecule Details

References

PubChem Literature

From Data Sources

• J.K. Lin, et al., Anal. Chem., 47: 1634 (1975).

• J.K. Lin, Anal. Chem. , 52 : 630 (1980).

• J.Y. Chang, et al., J. Chromatogr., 116 : 215 (1976).

• Reagent for the qualitative and quantitative estimation of amino acids: Anal. Chem., 47, 1634 (1975); 52, 630 (1980); J. Chromat., 116, 215 (1976).

References

Bioactivity

PubChem BioAssay

Bioactivity

Data Source

Commercial Catalog

Academic Data

Names and Identifiers

Synonyms

IUPAC Traditional name

4-[(E)-2-[4-(dimethylamino)phenyl]diazen-1-yl]benzenesulfonyl chloride 4-{2-[4-(dimethylamino)phenyl]diazen-1-yl}benzenesulfonyl chloride

IUPAC name

4-[(E)-2-[4-(dimethylamino)phenyl]diazen-1-yl]benzene-1-sulfonyl chloride 4-{2-[4-(dimethylamino)phenyl]diazen-1-yl}benzene-1-sulfonyl chloride

Registration numbers

EC Number

260-235-1

CAS Number

56512-49-3

PubChem SID

1620903502486433724873345

PubChem CID

Beilstein Number

MDL Number

Molecule Details

Chromophoric label for amino acids, peptides and proteins.

Sigma Aldrich

226262

Application
Chromophoric labeling reagent for amino acids.1,2,3

39068

502219

References

PubChem Literature

From Data Sources

• J.K. Lin, et al., Anal. Chem., 47: 1634 (1975).

• J.K. Lin, Anal. Chem. , 52 : 630 (1980).

• J.Y. Chang, et al., J. Chromatogr., 116 : 215 (1976).

• Reagent for the qualitative and quantitative estimation of amino acids: Anal. Chem., 47, 1634 (1975); 52, 630 (1980); J. Chromat., 116, 215 (1976).

Bioactivity

PubChem BioAssay

Properties

Physical Property

Molecule

ID:103206