Ethyl butylacetylaminopropionate

C11H21NO3CAS 52304-36-6215.29 g/mol

Open in Covalent MOL file
NOOO
AmideEster

Properties

Molecular formula
C11H21NO3
Molar mass
215.29 g/mol
Exact mass
215.1521 Da
logP
1.59Crippen estimate
Polar surface area
46.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
7

Hazards

Warning
Irritant (GHS07)

Aggregated from 168 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
52304-36-6
SMILES
CCCCN(CCC(=O)OCC)C(C)=O
InChIKey
VZRKEAFHFMSHCD-UHFFFAOYSA-N
InChI
InChI=1S/C11H21NO3/c1-4-6-8-12(10(3)13)9-7-11(14)15-5-2/h4-9H2,1-3H3

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Names and synonyms

16 names · show all
  • β-Alanine, N-acetyl-N-butyl-, ethyl ester
  • 3-[(N-Butyl-N-acetyl)amino]propionic acid ethyl ester
  • Ethyl 3-(N-butylacetamido)propionate
  • BAAPE
  • Merck 3535
  • AI 3-70763
  • Repellent 3535
  • IR 3535
  • 3-(Butylacetylamino)propionic acid ethyl ester
  • Quwenzhi
  • EUS 26-15
  • Ethyl 3-(N-n-butyl-N-acetyl)aminopropionate
  • 3-(N-n-Butyl-N-acetyl)aminopropionic acid ethyl ester
  • Ethyl 3-[acetyl(butyl)amino]propanoate
  • Coleman SkinSmart
  • Ethyl 3-[Acetyl(butyl)amino]propionate

Work with Ethyl butylacetylaminopropionate

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

Ethyl pentanoate539-82-257 % similar Ethyl hexanoate123-66-056 % similar Ethyl heptanoate106-30-954 % similar Ethyl octanoate106-32-154 % similar Ethyl dodecanoate106-33-254 % similar Ethyl decanoate110-38-354 % similar Ethyl stearate111-61-554 % similar Ethyl nonanoate123-29-554 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,1-Dimethylethyl 3-hydroxy-3-methyl-1-piperidinecarboxylate1104083-27-3 Boc-trans-4-aminocyclohexanol111300-06-2 N-Boc-piperidine-3-methanol116574-71-1 N-Boc-4-piperidinemethanol123855-51-6 1,1-Dimethylethyl 3-(1-hydroxy-1-methylethyl)-1-azetidinecarboxylate1257293-79-0 tert-Butyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate140695-84-7 tert-Butyl (3R)-3-(hydroxymethyl)piperidine-1-carboxylate140695-85-8 N-Boc-piperidine-2-methanol157634-00-9

Elsewhere

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