chempirical

3-Butoxypropanenitrile

C7H13NOCAS 6959-71-3127.19 g/mol

Open in Covalent MOL file
ON
EtherNitrile

Properties

Molecular formula
C7H13NO
Molar mass
127.19 g/mol
Exact mass
127.0997 Da
Density
0.86 g/mL
Boiling point
170–172 °C (at 750 Torr)
logP
1.72Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Identifiers

CAS number
6959-71-3
SMILES
CCCCOCCC#N
InChIKey
AWVNJBFNHGQUQU-UHFFFAOYSA-N
InChI
InChI=1S/C7H13NO/c1-2-3-6-9-7-4-5-8/h2-4,6-7H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • Propanenitrile, 3-butoxy-
  • Propionitrile, 3-butoxy-
  • 3-Butoxypropionitrile
  • β-Butoxypropionitrile
  • NSC 65452

Work with 3-Butoxypropanenitrile

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

Bis(2-cyanoethyl) ether1656-48-064 % similar Dibutyl ether142-96-159 % similar Pentanenitrile110-59-858 % similar Glycol dibutyl ether112-48-157 % similar Diethylene glycol dibutyl ether112-73-257 % similar 5,8,11,14,17-Pentaoxaheneicosane112-98-157 % similar Hexanenitrile628-73-956 % similar Octanenitrile124-12-954 % similar

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

Same formula

tert-Butylacrylamide107-58-4 Cyclohexanecarboxamide1122-56-1 N-Isopropylmethacrylamide13749-61-6 (±)-3-Quinuclidinol1619-34-7 1-Aza-2-methoxy-1-cycloheptene2525-16-8 Hexyl isocyanate2525-62-4 (R)-3-Quinuclidinol25333-42-0 N-Methylcaprolactam2556-73-2

Elsewhere

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