4-Acetamido-2-aminobenzenesulfonic acid

C₈H₁₀N₂O₄SCAS 88-64-2230.24 g/mol

Open in Covalent MOL file

Primary amine Sulfonic acid

Properties

Molecular formula: C₈H₁₀N₂O₄S
Molar mass: 230.24 g/mol
Exact mass: 230.0361 Da
logP: 1.12Crippen estimate
Polar surface area: 113.0 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation86.4% of notifiers
H319 Causes serious eye irritation86.4% of notifiers
H335 May cause respiratory irritation86.4% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

88-64-2

SMILES

CC(O)=Nc1ccc(S(=O)(=O)O)c(N)c1

InChIKey

FOINSAWEWXUXPQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H10N2O4S/c1-5(11)10-6-2-3-8(7(9)4-6)15(12,13)14/h2-4H,9H2,1H3,(H,10,11)(H,12,13,14)

Weigh it out

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

Names and synonyms

16 names · show all

Benzenesulfonic acid, 4-(acetylamino)-2-amino-
Benzenesulfonic acid, 4-acetamido-2-amino-
4-(Acetylamino)-2-aminobenzenesulfonic acid
1-Amino-3-acetylaminobenzene-6-sulfonic acid
5-Acetylaminoaniline-2-sulfonic acid
2-Amino-4-acetamidobenzenesulfonic acid
1-Acetylamino-3-aminobenzene-4-sulfonic acid
3-Acetamido-6-sulfoaniline
3′-Amino-4′-sulfoacetanilide
5-Acetamido-2-sulfoaniline
3-Aminoacetanilide-4-sulfonic acid
NSC 36986
2-Amino-4-acetylaminobenzenesulfonic acid
5-Acetylamino-2-sulfoaniline
5-Acetamino-2-aminobenzenesulfonic acid
2-Amino-4-acetamidobenzene-1-sulfonic acid

Work with 4-Acetamido-2-aminobenzenesulfonic 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

N-(3-Amino-4-chlorophenyl)acetamide51867-83-555 % similar N-(3-Amino-4-methoxyphenyl)acetamide6375-47-953 % similar 2,4-Diaminobenzenesulfonic acid88-63-153 % similar 2-Amino-1,4-benzenedisulfonic acid98-44-253 % similar 5-Acetamidoanthranilic acid50670-83-251 % similar 3-(Acetylamino)-5-amino-4-hydroxybenzenesulfonic acid40306-75-050 % similar 7-Acetamido-4-hydroxy-2-naphthalenesulfonic acid6334-97-050 % similar N-(4-Amino-3-(trifluoromethyl)phenyl)acetamide1579-89-148 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(6R-Trans)-7-Amino-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid15690-38-7 Asulam3337-71-1 N-Methyl-4-nitrobenzenemethanesulfonamide85952-29-0 5-Acetamido-2-aminobenzenesulfonic acid96-78-6

Elsewhere

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