7-Amino-1,3,5-naphthalenetrisulfonic acid

C₁₀H₉NO₉S₃CAS 27310-25-4383.36 g/mol

Open in Covalent MOL file

Primary amine Sulfonic acid

Properties

Molecular formula: C₁₀H₉NO₉S₃
Molar mass: 383.36 g/mol
Exact mass: 382.9439 Da
logP: 0.16Crippen estimate
Polar surface area: 189.1 Å²
H-bond donors / acceptors: 4 / 7
Rotatable bonds: 3

Hazards

Danger

H314 Causes severe skin burns and eye damage50% of notifiers
H318 Causes serious eye damage50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

27310-25-4

SMILES

Nc1cc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1

InChIKey

HKTWHHAJDJCUPC-UHFFFAOYSA-N

InChI

InChI=1S/C10H9NO9S3/c11-5-1-7-8(9(2-5)22(15,16)17)3-6(21(12,13)14)4-10(7)23(18,19)20/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)

Weigh it out

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

Names and synonyms

4 names

1,3,5-Naphthalenetrisulfonic acid, 7-amino-
2-Naphthylamine-4,6,8-trisulfonic acid
2-Amino-4,6,8-naphthalenetrisulfonic acid
7-Aminonaphthalene-1,3,5-trisulfonic acid

Work with 7-Amino-1,3,5-naphthalenetrisulfonic 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

7-Amino-1,3-naphthalenedisulfonic acid86-65-767 % similar 2-Naphthylamine-4,8-disulfonic acid131-27-166 % similar 6-Amino-1,3-naphthalenedisulfonic acid118-33-262 % similar 1,3,5-Naphthalenetrisulfonic acid6654-64-460 % similar 2,5-Diamino-1,3-benzenedisulfonic acid6409-48-959 % similar 5,6-Diaminonaphthalene-1,3-disulfonic acid73692-57-656 % similar 2,2′-Benzidinedisulfonic acid117-61-351 % similar 2-Aminophenol-4,6-disulfonic acid120-98-951 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

7-Amino-1,3,6-naphthalenetrisulfonic acid118-03-6

Elsewhere

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