chempirical

Alpha-Naphthyl butyrate

C14H14O2CAS 3121-70-8214.26 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C14H14O2
Molar mass
214.26 g/mol
Exact mass
214.0994 Da
Melting point
95.5–96.5 °C
Boiling point
182 °C (at NaN Torr)
logP
3.55Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
3121-70-8
SMILES
CCCC(=O)Oc1cccc2ccccc12
InChIKey
XIVJNRXPRQKFRZ-UHFFFAOYSA-N
InChI
InChI=1S/C14H14O2/c1-2-6-14(15)16-13-10-5-8-11-7-3-4-9-12(11)13/h3-5,7-10H,2,6H2,1H3

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Names and synonyms

8 names
  • α-Naphthyl butyrate
  • Butanoic acid, 1-naphthalenyl ester
  • Butyric acid, 1-naphthyl ester
  • 1-Naphthol, butyrate
  • α-Naphthyl n-butyrate
  • 1-Naphthyl butyrate
  • Butanoic acid 1-naphthyl ester
  • NSC 97269

Work with Alpha-Naphthyl butyrate

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

Alpha-naphthyl propionate3121-71-974 % similar 1-Naphthyl acetate830-81-955 % similar Dihydrocoumarin119-84-647 % similar 1-Ethoxynaphthalene5328-01-847 % similar Benzyl butyrate103-37-746 % similar Napropamide15299-99-746 % similar 2-Phenylethyl butanoate103-52-645 % similar β-Naphthyl laurate6343-73-345 % similar

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

Same formula

1,2-Diphenoxyethane104-66-5 4,4'-Bis(hydroxymethyl)biphenyl1667-12-5 3-(Phenylmethoxy)benzenemethanol1700-30-7 Ethyl 1-naphthylacetate2122-70-5 4,4'-Dimethoxybiphenyl2132-80-1 (S,S)-(-)-Hydrobenzoin2325-10-2 2,2'-Dimethoxybiphenyl4877-93-4 (R,R)-Hydrobenzoin52340-78-0

Elsewhere

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