3-[(2-Ethylhexyl)oxy]-1-propanamine

C₁₁H₂₅NOCAS 5397-31-9187.33 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₁₁H₂₅NO
Molar mass: 187.33 g/mol
Exact mass: 187.1936 Da
Boiling point: 74–77 °C (at 0.5 Torr)
Flash point: 93.3 °C
Water solubility: 1–5 g/L (20.5 °C)
logP: 2.57Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 9

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H311 Toxic in contact with skin99% of notifiers
H314 Causes severe skin burns and eye damage> 99.9% of notifiers
H411 Toxic to aquatic life with long lasting effects95.9% of notifiers

Aggregated from 2,214 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P262, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P391, P405, P501

Identifiers

CAS number

5397-31-9

SMILES

CCCCC(CC)COCCCN

InChIKey

DVFGEIYOLIFSRX-UHFFFAOYSA-N

InChI

InChI=1S/C11H25NO/c1-3-5-7-11(4-2)10-13-9-6-8-12/h11H,3-10,12H2,1-2H3

Weigh it out

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

Names and synonyms

11 names

1-Propanamine, 3-[(2-ethylhexyl)oxy]-
Propylamine, 3-[(2-ethylhexyl)oxy]-
2-Ethylhexyl 3-aminopropyl ether
3-(2-Ethylhexoxy)propylamine
3-(2-Ethylhexyloxy)propylamine
3-(2-Ethylhexyloxy)-1-propanamine
3-Aminopropyl 2-ethylhexyl ether
PA 12EH
NSC 1078
Tomamine PA 12EH
2-Ethylhexyloxypropylamine

Work with 3-[(2-Ethylhexyl)oxy]-1-propanamine

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

Di(2-ethylhexyl)ether10143-60-968 % similar 3-Butoxy-1-propanamine16499-88-057 % similar 2-Ethylhexyl glycidyl ether2461-15-656 % similar 2-Ethylhexylamine104-75-653 % similar 3-(Dodecyloxy)propylamine7617-74-553 % similar Ethylhexylglycerin70445-33-951 % similar Tetra-(2-ethylhexoxy)silane115-82-250 % similar Tris(2-ethylhexyl) phosphate78-42-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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