Ethyl 1-naphthylacetate

C₁₄H₁₄O₂CAS 2122-70-5214.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₄O₂
Molar mass: 214.26 g/mol
Exact mass: 214.0994 Da
Melting point: 88.5 °C
Boiling point: 177–179 °C (at 13 Torr)
logP: 2.95Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H412 Harmful to aquatic life with long lasting effects50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P501

Identifiers

CAS number

2122-70-5

SMILES

CCOC(=O)Cc1cccc2ccccc12

InChIKey

XIDPSKQLXKCVQN-UHFFFAOYSA-N

InChI

InChI=1S/C14H14O2/c1-2-16-14(15)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,2,10H2,1H3

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Names and synonyms

8 names

Alpha-Naphthaleneacetic acid, ethyl ester
1-Naphthaleneacetic acid, ethyl ester
Naphthaleneacetic acid, ethyl ester
Ethyl 1-naphthaleneacetate
NAA ethyl ester
NSC 74497
(1-Naphthyl)acetic acid ethyl ester
Ethyl 2-(naphthalen-1-yl)acetate

Reactions

Work with Ethyl 1-naphthylacetate

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

Methyl 1-naphthylacetate2876-78-069 % similar o-Tolylacetic acid ethyl ester40291-39-265 % similar Ethyl 2-fluorophenylacetate584-74-763 % similar Ethyl 3-(naphthalen-8-yl)-3-oxopropanoate62071-76-561 % similar Ethyl 1H-indole-3-acetate778-82-561 % similar Ethyl phenylacetate101-97-358 % similar Ethyl 1-naphthalenecarboxylate3007-97-456 % similar 1-Naphthaleneacetic acid86-87-353 % 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 4,4'-Dimethoxybiphenyl2132-80-1 (S,S)-(-)-Hydrobenzoin2325-10-2 Alpha-Naphthyl butyrate3121-70-8 2,2'-Dimethoxybiphenyl4877-93-4 (R,R)-Hydrobenzoin52340-78-0

Elsewhere

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