18-Aminooctadecanoic acid

C₁₈H₃₇NO₂CAS 17437-24-0299.50 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₁₈H₃₇NO₂
Molar mass: 299.50 g/mol
Exact mass: 299.2824 Da
logP: 5.27Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 17

Identifiers

CAS number

17437-24-0

SMILES

C(CCCCCCCCC(=O)O)CCCCCCCCN

InChIKey

ACQSOZZSYSEKHC-UHFFFAOYSA-N

InChI

InChI=1S/C18H37NO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-17,19H2,(H,20,21)

Weigh it out

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

Work with 18-Aminooctadecanoic 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

11-Aminoundecanoic acid2432-99-7100 % similar 6-Aminohexanoic acid60-32-2100 % similar 12-Aminododecanoic acid693-57-2100 % similar 7-Aminoheptanoic acid929-17-9100 % similar 5-Aminovaleric acid660-88-895 % similar 7-Aminoheptanoic acid hydrochloride62643-56-588 % similar 5-Aminovaleric acid hydrochloride627-95-283 % similar Pimelic acid111-16-071 % similar

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

Same formula

Sphingosine123-78-4 Palmitoylethanolamide544-31-0

Elsewhere

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