4-Hexyloxyaniline

C₁₂H₁₉NOCAS 39905-57-2193.29 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₁₂H₁₉NO
Molar mass: 193.29 g/mol
Exact mass: 193.1467 Da
Melting point: 62–63 °C
Boiling point: 153–155 °C (at 0.5 Torr)
logP: 3.23Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 6

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H400 Very toxic to aquatic life100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

39905-57-2

SMILES

CCCCCCOc1ccc(N)cc1

InChIKey

DJRKHTCUXRGYEU-UHFFFAOYSA-N

InChI

InChI=1S/C12H19NO/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h6-9H,2-5,10,13H2,1H3

Weigh it out

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

Names and synonyms

8 names

4-(Hexyloxy)aniline
Benzenamine, 4-(hexyloxy)-
Aniline, p-(hexyloxy)-
4-(Hexyloxy)benzenamine
p-(Hexyloxy)aniline
4-(n-Hexyloxy)aniline
4-Hexyloxyphenylamine
1-Amino-4-(hexyloxy)benzene

Work with 4-Hexyloxyaniline

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

p-Heptyloxyaniline39905-44-7100 % similar 4-(Octyloxy)benzenamine39905-45-8100 % similar 4-Butyloxyaniline4344-55-286 % similar 4-Propoxybenzenamine4469-80-172 % similar 4-(Heptyloxy)phenol13037-86-064 % similar 4-(Hexyloxy)phenol18979-55-064 % similar 1-Bromo-4-(hexyloxy)benzene30752-19-364 % similar 4-(Octyloxy)phenol3780-50-564 % similar

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

Same formula

2-Ethylamino-1-(4′-methoxyphenyl)propane14367-46-5 2-(Butylphenylamino)ethanol3046-94-4 1-Acetamidoadamantane880-52-4

Elsewhere

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