Peri acid

C₁₀H₉NO₃SCAS 82-75-7223.25 g/mol

Open in Covalent MOL file

Primary amine Sulfonic 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 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage69% of notifiers
H315 Causes skin irritation10.3% of notifiers
H319 Causes serious eye irritation13.8% of notifiers
H335 May cause respiratory irritation13.8% of notifiers

Aggregated from 58 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

82-75-7

SMILES

Nc1cccc2cccc(S(=O)(=O)O)c12

InChIKey

CYJJLCDCWVZEDZ-UHFFFAOYSA-N

InChI

InChI=1S/C10H9NO3S/c11-8-5-1-3-7-4-2-6-9(10(7)8)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

9 names

1-Naphthalenesulfonic acid, 8-amino-
8-Amino-1-naphthalenesulfonic acid
1-Aminonaphthalene-8-sulfonic acid
Naphthylaminemonosulfonic acid S
α-Naphthylamine-8-sulfonic acid
1-Naphthylamine-8-sulfonic acid
Schollkopf's acid
1-Amino-8-naphthylsulfonic acid
NSC 7798

Work with Peri 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

8-Amino-1,6-naphthalenedisulfonic acid129-91-969 % similar Orthanilic acid88-21-165 % similar 1-Naphthol-8-sulfonic acid117-22-662 % similar Laurent acid84-89-962 % similar Naphthalene-1-sulfonic acid85-47-253 % similar 8-Anilinonaphthalene-1-sulfonic acid82-76-853 % similar S Acid83-64-753 % similar 1,8-Diaminonaphthalene479-27-652 % 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 Methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate188614-01-9 Probenazole27605-76-1 5-(4-Hydroxybenzyl)thiazolidine-2,4-dione74772-78-4 6-Aminonaphthalene-1-sulphonic acid81-05-0 Tobias acid81-16-3 Naphthionic acid84-86-6

Elsewhere

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