4-Aminonaphthalene-1,8-dicarboxylic anhydride

C₁₂H₇NO₃CAS 6492-86-0213.19 g/mol

Open in Covalent MOL file

Acid anhydride Primary amine

Properties

Molecular formula: C₁₂H₇NO₃
Molar mass: 213.19 g/mol
Exact mass: 213.0426 Da
Melting point: above 350 °C
logP: 1.73Crippen estimate
Polar surface area: 69.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H350 May cause cancer100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

6492-86-0

SMILES

Nc1ccc2c3c(cccc13)C(=O)OC2=O

InChIKey

QIXHMCMCFSNKOG-UHFFFAOYSA-N

InChI

InChI=1S/C12H7NO3/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(14)16-12(8)15/h1-5H,13H2

Weigh it out

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

Names and synonyms

7 names

4-Amino-1,8-naphthalic anhydride
1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-amino-
Naphthalic anhydride, 4-amino-
6-Amino-1H,3H-naphtho[1,8-cd]pyran-1,3-dione
4-Amino-1,8-naphthalenedicarboxylic anhydride
NSC 7564
4-Amino-1,8-naphthalene anhydride

Work with 4-Aminonaphthalene-1,8-dicarboxylic anhydride

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

4-Chloro-1,8-naphthalic anhydride4053-08-163 % similar 4-Bromo-1,8-naphthalic anhydride81-86-761 % similar 1,8-Naphthalic anhydride81-84-555 % similar Naphthalenetetracarboxylic dianhydride81-30-153 % similar Perylenetetracarboxylic dianhydride128-69-852 % similar 4-Sulfonaphthalic anhydride potassium salt71501-16-150 % similar Phthalic anhydride85-44-948 % similar 1,2-Naphthalenedicarboxylic anhydride5343-99-744 % similar

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

Same formula

3-Nitrodibenzofuran5410-97-9 Resorufin635-78-9 N-Hydroxynaphthalimide7797-81-1

Elsewhere

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