chempirical

3-Hydroxypentanedinitrile

C5H6N2OCAS 13880-89-2110.12 g/mol

Open in Covalent MOL file
NOHN
AlcoholNitrile

Properties

Molecular formula
C5H6N2O
Molar mass
110.12 g/mol
Exact mass
110.0480 Da
Density
1.808 g/mL (at 22 °C)
Boiling point
202–203 °C (at 11 Torr)
logP
0.17Crippen estimate
Polar surface area
67.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
13880-89-2
SMILES
N#CCC(O)CC#N
InChIKey
NMFITULDMUZCQD-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2O/c6-3-1-5(8)2-4-7/h5,8H,1-2H2

Weigh it out

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

Names and synonyms

6 names
  • Pentanedinitrile, 3-hydroxy-
  • Glutaronitrile, 3-hydroxy-
  • 3-Hydroxyglutaronitrile
  • 1,3-Dicyano-2-hydroxypropane
  • 1,3-Dicyano-2-propanol
  • NSC 625028

Work with 3-Hydroxypentanedinitrile

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

Same formula

3-Methyl-1H-pyrazole-4-carbaldehyde112758-40-4 6-Methyl-3(2H)-pyridazinone13327-27-0 2-Amino-3-hydroxypyridine16867-03-1 3-Methoxypyridazine19064-65-4 3-Methyl-2(1H)-pyrazinone19838-07-4 4-Methoxypyridazine20733-11-3 1-(1H-Imidazol-1-yl)ethanone2466-76-4 1-Methyl-1H-pyrazole-4-carboxaldehyde25016-11-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook