chempirical

27-Amino-4,7,10,13,16,19,22,25-octaoxaheptacosanoic acid

C19H39NO10CAS 756526-04-2441.52 g/mol

Open in Covalent MOL file
H2NOOOOOOOOOOH
Carboxylic acidEtherPrimary amine

Properties

Molecular formula
C19H39NO10
Molar mass
441.52 g/mol
Exact mass
441.2574 Da
logP
-0.45Crippen estimate
Polar surface area
137.2 Ų
H-bond donors / acceptors
2 / 10
Rotatable bonds
26

Identifiers

CAS number
756526-04-2
SMILES
NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
InChIKey
YLKOHZCQTVYVDB-UHFFFAOYSA-N
InChI
InChI=1S/C19H39NO10/c20-2-4-24-6-8-26-10-12-28-14-16-30-18-17-29-15-13-27-11-9-25-7-5-23-3-1-19(21)22/h1-18,20H2,(H,21,22)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • 4,7,10,13,16,19,22,25-Octaoxaheptacosanoic acid, 27-amino-
  • 3,6,9,12,15,18,21,24-Octaoxaheptacosan-27-oic acid, 1-amino-
  • 1-Amino-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oic acid

Work with 27-Amino-4,7,10,13,16,19,22,25-octaoxaheptacosanoic acid

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

2-(2-(2-Aminoethoxy)ethoxy)acetic acid hydrochloride134979-01-465 % similar β-Alanine107-95-958 % similar 17-Amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecanoic acid1143516-05-554 % similar γ-Aminobutyric acid56-12-254 % similar 5-Aminovaleric acid660-88-852 % similar 8-Aminooctanoic acid1002-57-950 % similar Poly(oxy-1,2-ethanediyl), α-(2-azidoethyl)-ω-(2-carboxyethoxy)-1167575-20-350 % similar 15-Azido-4,7,10,13-tetraoxapentadecanoic acid1257063-35-650 % similar

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

Elsewhere

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