chempirical

Ammonium adipate

C6H16N2O4CAS 3385-41-9180.20 g/mol

Open in Covalent MOL file
NH3NH3OHOOOH
Carboxylic acid

Properties

Molecular formula
C6H16N2O4
Molar mass
180.20 g/mol
Exact mass
180.1110 Da
logP
1.04Crippen estimate
Polar surface area
144.6 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
5

Identifiers

CAS number
3385-41-9
SMILES
N.N.O=C(O)CCCCC(=O)O
InChIKey
ZRSKSQHEOZFGLJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O4.2H3N/c7-5(8)3-1-2-4-6(9)10;;/h1-4H2,(H,7,8)(H,9,10);2*1H3

Weigh it out

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

Names and synonyms

5 names
  • Diammonium adipate
  • Hexanedioic acid, ammonium salt (1:2)
  • Adipic acid, diammonium salt
  • Hexanedioic acid, diammonium salt
  • Adipic acid ammonium salt

Work with Ammonium adipate

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

Ammonium adipate19090-60-9100 % similar Pimelic acid111-16-078 % similar Sebacic acid111-20-678 % similar Pentadecanedioic acid1460-18-078 % similar Diammonium succinate2226-88-278 % similar Heptadecanedioic acid2424-90-078 % similar Eicosanedioic acid2424-92-278 % similar Suberic acid505-48-678 % similar

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

Elsewhere

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