Alpha-amine-omega-propionic acid triethylene glycol

C₉H₁₉NO₅CAS 784105-33-5221.25 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Primary amine

Properties

Molecular formula: C₉H₁₉NO₅
Molar mass: 221.25 g/mol
Exact mass: 221.1263 Da
logP: -0.53Crippen estimate
Polar surface area: 91.0 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 11

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

784105-33-5

SMILES

C(COCCOCCOCCN)C(=O)O

InChIKey

XUQZKSCQPMNDEY-UHFFFAOYSA-N

InChI

InChI=1S/C9H19NO5/c10-2-4-14-6-8-15-7-5-13-3-1-9(11)12/h1-8,10H2,(H,11,12)

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Names and synonyms

1 names

3-(2-(2-(2-Aminoethoxy)ethoxy)ethoxy)propanoic acid

Work with Alpha-amine-omega-propionic acid triethylene glycol

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

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

Elsewhere

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