chempirical

Ammonium adipate

C6H13NO4CAS 19090-60-9163.17 g/mol

Open in Covalent MOL file
NH3OHOOOH
Carboxylic acid

Properties

Molecular formula
C6H13NO4
Molar mass
163.17 g/mol
Exact mass
163.0845 Da
logP
0.88Crippen estimate
Polar surface area
109.6 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
19090-60-9
SMILES
N.O=C(O)CCCCC(=O)O
InChIKey
RATMLZHGSYTFBL-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O4.H3N/c7-5(8)3-1-2-4-6(9)10;/h1-4H2,(H,7,8)(H,9,10);1H3

Weigh it out

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

Names and synonyms

3 names
  • Hexanedioic acid, ammonium salt (1:?)
  • Adipic acid, ammonium salt
  • Hexanedioic 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Adipic acid124-04-9Free acid Ammonium adipate3385-41-9Salt Piperazine adipate142-88-1Salt Serotonin adipate16031-83-7Salt Spiramycin adipate68880-55-7Salt

Similar compounds

Pimelic acid111-16-078 % similar Sebacic acid111-20-678 % similar Azelaic acid123-99-978 % similar Pentadecanedioic acid1460-18-078 % similar Undecanedioic acid1852-04-678 % similar Diammonium succinate2226-88-278 % similar Heptadecanedioic acid2424-90-078 % similar Eicosanedioic acid2424-92-278 % similar

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

Same formula

(2-(2-Aminoethoxy)ethoxy)acetic acid134978-97-5 Bicine150-25-4 1-Deoxynojirimycin19130-96-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook