Dabcyl SE dye

C₁₉H₁₈N₄O₄CAS 146998-31-4366.38 g/mol

Open in Covalent MOL file

Amide Azo Lactam Tertiary amine

Properties

Molecular formula: C₁₉H₁₈N₄O₄
Molar mass: 366.38 g/mol
Exact mass: 366.1328 Da
logP: 3.39Crippen estimate
Polar surface area: 91.6 Å²
H-bond donors / acceptors: 0 / 7
Rotatable bonds: 5

Identifiers

CAS number

146998-31-4

SMILES

CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)ON3C(=O)CCC3=O

InChIKey

IBOVDNBDQHYNJI-UHFFFAOYSA-N

InChI

InChI=1S/C19H18N4O4/c1-22(2)16-9-7-15(8-10-16)21-20-14-5-3-13(4-6-14)19(26)27-23-17(24)11-12-18(23)25/h3-10H,11-12H2,1-2H3

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Names and synonyms

1 names

4-((4-(Dimethylamino)phenyl)azo)benzoic acid, succinimidyl ester

Work with Dabcyl SE dye

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Poly(ethylene glycol) bis(P-dimethylaminobenzoate)71512-90-852 % similar Ethyl 4-(dimethylamino)benzoate10287-53-350 % similar 6-Carboxytetramethylrhodamine N-succinimidyl ester150810-69-846 % similar Padimate A21245-01-245 % similar Methyl yellow60-11-744 % similar 3-[2-[4-(Dimethylamino)phenyl]diazenyl]benzoic acid20691-84-343 % similar Padimate O21245-02-343 % similar 4-[2-(4-Aminophenyl)diazenyl]-N,N-dimethylbenzenamine539-17-342 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(2S,3S)-Fmoc-abu(3-N3)-oh131669-42-6

Elsewhere

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