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

C₁₉H₃₉NO₁₀CAS 756526-04-2441.52 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Primary 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 Å²
H-bond donors / acceptors: 2 / 10
Rotatable bonds: 26

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Alpha-amine-omega-propionic acid triethylene glycol784105-33-5100 % similar Amino-PEG6-acid905954-28-1100 % similar (2-(2-Aminoethoxy)ethoxy)acetic acid134978-97-571 % similar Amino-peg4-ch2co2H195071-49-971 % similar 2-(2-(2-Aminoethoxy)ethoxy)acetic acid hydrochloride134979-01-465 % similar 2,5,8,11-Tetraoxatetradecan-14-oic acid67319-28-262 % similar β-Alanine107-95-958 % similar 17-Amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecanoic acid1143516-05-554 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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