1-(4-Aminophenyl)-1-butanone

C₁₀H₁₃NOCAS 1688-71-7163.22 g/mol

Open in Covalent MOL file

Ketone Primary amine

Properties

Molecular formula: C₁₀H₁₃NO
Molar mass: 163.22 g/mol
Exact mass: 163.0997 Da
Melting point: 84 °C
logP: 2.25Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

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

Precautionary statements

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number

1688-71-7

SMILES

CCCC(=O)c1ccc(N)cc1

InChIKey

CYCSOZSEBPZGPC-UHFFFAOYSA-N

InChI

InChI=1S/C10H13NO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7H,2-3,11H2,1H3

Weigh it out

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

Names and synonyms

6 names

1-Butanone, 1-(4-aminophenyl)-
Butyrophenone, 4′-amino-
p-Aminobutyrophenone
4′-Aminobutyrophenone
1-(4-Aminophenyl)butan-1-one
4-Aminophenylbutanone

Work with 1-(4-Aminophenyl)-1-butanone

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

4′-Aminopropiophenone70-69-967 % similar 1-(4-Methylphenyl)-1-butanone4160-52-565 % similar Butyrophenone495-40-963 % similar 4′-Hydroxybutyrophenone1009-11-663 % similar 1-(4-Chlorophenyl)-1-butanone4981-63-963 % similar 1-(4-Bromophenyl)-1-butanone4981-64-063 % similar 1-(4-Fluorophenyl)-1-butanone582-83-263 % similar 1-[1,1′-Biphenyl]-4-yl-1-butanone13211-01-361 % similar

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

Same formula

6-Methoxy-1,2,3,4-tetrahydroquinoline120-15-0 Formetorex15302-18-8 (S)-1,2,3,4-Tetrahydro-3-isoquinolinemethanol18881-17-9 4-Dimethylaminoacetophenone2124-31-4 N-(2,6-Dimethylphenyl)acetamide2198-53-0 N-(3,4-Dimethylphenyl)acetamide2198-54-1 6-Methoxy-1,2,3,4-tetrahydroisoquinoline42923-77-3 2-(Pyrrolidin-1-yl)phenol4787-77-3

Elsewhere

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