Butylacetanilide
Properties
- Molecular formula
- C12H17NO
- Molar mass
- 191.27 g/mol
- Exact mass
- 191.1310 Da
- Density
- 0.9912 g/mL (at 20 °C)
- Melting point
- 24.5 °C
- Boiling point
- 281 °C
- Flash point
- 141.1 °C
- logP
- 2.84Crippen estimate
- Polar surface area
- 20.3 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 4
Hazards
Danger
- H314 Causes severe skin burns and eye damage100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H412 Harmful to aquatic life with long lasting effects100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P405, P501
Identifiers
CAS number
91-49-6SMILES
CCCCN(C(C)=O)c1ccccc1InChIKey
ZWDZJRRQSXLOQR-UHFFFAOYSA-NInChI
InChI=1S/C12H17NO/c1-3-4-10-13(11(2)14)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Acetamide, N-butyl-N-phenyl-
- Acetanilide, N-butyl-
- N-Butyl-N-phenylacetamide
- BAA
- N-Butylacetanilide
- N-n-Butylacetanilide
- NSC 7662
Work with Butylacetanilide
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
N,N-Dibutylbenzenamine613-29-653 % similar
N,N-Diphenylacetamide519-87-950 % similar
1-Phenyl-2-pyrrolidinone4641-57-049 % similar
N-Methylacetanilide579-10-247 % similar
Centralite85-98-347 % similar
N-Butylphthalimide1515-72-646 % similar
Phenylbutazone50-33-945 % similar
1-Acetylindoline16078-30-145 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.