chempirical

Diisopropylammonium dichloroacetate

C8H17Cl2NO2CAS 660-27-5230.13 g/mol

Open in Covalent MOL file
NHOHOClCl
Alkyl halideCarboxylic acidSecondary amine

Properties

Molecular formula
C8H17Cl2NO2
Molar mass
230.13 g/mol
Exact mass
229.0636 Da
Melting point
119–121 °C
logP
2.27Crippen estimate
Polar surface area
49.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Identifiers

CAS number
660-27-5
SMILES
CC(C)NC(C)C.O=C(O)C(Cl)Cl
InChIKey
ILKBHIBYKSHTKQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H15N.C2H2Cl2O2/c1-5(2)7-6(3)4;3-1(4)2(5)6/h5-7H,1-4H3;1H,(H,5,6)

Weigh it out

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

Names and synonyms

24 names · show all
  • Acetic acid, 2,2-dichloro-, compd. with N-(1-methylethyl)-2-propanamine (1:1)
  • Acetic acid, dichloro-, compd. with diisopropylamine (1:1)
  • Acetic acid, dichloro-, compd. with N-(1-methylethyl)-2-propanamine (1:1)
  • Acetic acid, dichloro-, compd. with diisopropylamine
  • Diisopropylamine, dichloroacetate
  • 2-Propanamine, N-(1-methylethyl)-, dichloroacetate
  • IS 401
  • Diisopropylammonium dichloroethanoate
  • DADA
  • Diisopropylamine dichloroethanoate
  • DIPA
  • DIEDI
  • Dapocel
  • Dedyl
  • Kalodil
  • Tensicor
  • Disotat
  • β-Anoxin
  • Krino B 15
  • Cubisol
  • Oxypangam
  • Vasculopatina
  • Dipromonium
  • DIPA-DCA

Work with Diisopropylammonium dichloroacetate

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

2-Chloropropionic acid598-78-746 % similar (2S)-2-Chloro-3-methylbutanoic acid26782-74-143 % similar Methylmalonic acid516-05-241 % similar Isobutyric acid79-31-241 % similar Diisopropylamine108-18-939 % similar N-Methyl-L-alanine3913-67-539 % similar D-Lactic acid10326-41-738 % similar Poly[(+)-lactic acid]106989-11-138 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook