chempirical

Butyl nitrite

C4H9NO2CAS 544-16-1103.12 g/mol

Open in Covalent MOL file
ONO

Properties

Molecular formula
C4H9NO2
Molar mass
103.12 g/mol
Exact mass
103.0633 Da
Boiling point
78 °C
logP
1.48Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Hazards

Danger
Flammable (GHS02)Acute Toxic (GHS06)

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P316, P303+P361+P353, P304+P340, P316, P321, P330, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
544-16-1
SMILES
CCCCON=O
InChIKey
JQJPBYFTQAANLE-UHFFFAOYSA-N
InChI
InChI=1S/C4H9NO2/c1-2-3-4-7-5-6/h2-4H2,1H3

Weigh it out

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

Names and synonyms

3 names
  • Nitrous acid, butyl ester
  • n-Butyl nitrite
  • NSC 8426

Reactions

Work with Butyl nitrite

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Amyl nitrite463-04-786 % similar Propyl nitrite543-67-971 % similar Ethyl nitrite109-95-548 % similar Dibutyl phosphite1809-19-446 % similar Dibutyl ether142-96-145 % similar Isoamyl nitrite110-46-344 % similar Glycol dibutyl ether112-48-143 % similar Diethylene glycol dibutyl ether112-73-243 % similar

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

Same formula

Ethyl N-methylcarbamate105-40-8 Beta-aminoisobutyric acid10569-72-9 Ethyl N-hydroxyethanimidate10576-12-2 Dimethylglycine1118-68-9 2-Hydroxy-2-methylpropanamide13027-88-8 N-(2-Hydroxyethyl)acetamide142-26-7 3-Aminoisobutyric acid144-90-1 (+)-α-Aminobutyric acid1492-24-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook