chempirical

D Acid

C10H9NO3SCAS 81-05-0223.25 g/mol

Open in Covalent MOL file
H2NSOOOH
Primary amineSulfonic acid

Properties

Molecular formula
C10H9NO3S
Molar mass
223.25 g/mol
Exact mass
223.0303 Da
logP
1.67Crippen estimate
Polar surface area
80.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
81-05-0
SMILES
Nc1ccc2c(S(=O)(=O)O)cccc2c1
InChIKey
YUNBHHWDQDGWHC-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO3S/c11-8-4-5-9-7(6-8)2-1-3-10(9)15(12,13)14/h1-6H,11H2,(H,12,13,14)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • 1-Naphthalenesulfonic acid, 6-amino-
  • 6-Amino-1-naphthalenesulfonic acid
  • Dahl acid
  • Dahl's acid
  • Gycolan green BFL
  • 2-Naphthylamine-5-sulfonic acid
  • 6-Naphthylamine-1-sulfonic acid
  • 2-Amino-5-naphthalenesulfonic acid
  • 2-Amino-5-sulfonaphthalene
  • 2-Naphthylamino-5-sulfonic acid

Work with D Acid

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

6-Amino-1,3-naphthalenedisulfonic acid118-33-266 % similar Naphthalene-1-sulfonic acid85-47-262 % similar 2-Naphthylamine-4,8-disulfonic acid131-27-161 % similar 7-Amino-1,3-naphthalenedisulfonic acid86-65-757 % similar 2,2′-Benzidinedisulfonic acid117-61-356 % similar 5-Amino-2-chlorobenzenesulfonic acid88-43-755 % similar Armstrong'S acid81-04-955 % similar 2,5-Diaminobenzenesulfonic acid88-45-954 % similar

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

Same formula

8-Amino-2-naphthalenesulfonic acid119-28-8 5-Amino-2-naphthalenesulfonic acid119-79-9 Probenazole27605-76-1 5-(4-Hydroxybenzyl)thiazolidine-2,4-dione74772-78-4 Tobias acid81-16-3 Peri acid82-75-7 Naphthionic acid84-86-6 Laurent acid84-89-9

Elsewhere

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