1-(3-Aminophenyl)-1-propanone

C₉H₁₁NOCAS 1197-05-3149.19 g/mol

Open in Covalent MOL file

Ketone Primary amine

Properties

Molecular formula: C₉H₁₁NO
Molar mass: 149.19 g/mol
Exact mass: 149.0841 Da
Melting point: 42 °C
Boiling point: 168–169 °C
logP: 1.86Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled100% 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

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

Identifiers

CAS number

1197-05-3

SMILES

CCC(=O)c1cccc(N)c1

InChIKey

CGXJUBDTCAAXAY-UHFFFAOYSA-N

InChI

InChI=1S/C9H11NO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6H,2,10H2,1H3

Weigh it out

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

Names and synonyms

7 names

1-Propanone, 1-(3-aminophenyl)-
Propiophenone, 3′-amino-
3-Aminophenyl ethyl ketone
3′-Aminopropiophenone
3-Propionylaniline
m-Aminopropiophenone
1-(3-Aminophenyl)propan-1-one

Work with 1-(3-Aminophenyl)-1-propanone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4′-Aminopropiophenone70-69-965 % similar 1-(3-Bromophenyl)-1-propanone19829-31-364 % similar 3′-Chloropropiophenone34841-35-564 % similar 3'-Hydroxypropiophenone13103-80-562 % similar Propiophenone93-55-060 % similar 3′-Methoxypropiophenone37951-49-858 % similar 3,3'-Diaminobenzophenone611-79-058 % similar 3'-Aminoacetophenone99-03-658 % similar

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

Same formula

para-Dimethylaminobenzaldehyde100-10-7 4-Methylacetanilide103-89-9 N-(2-Methylphenyl)acetamide120-66-1 (1S,2R)-(-)-1-Amino-2-indanol126456-43-7 (+)-cis-1-Amino-2-indanol136030-00-7 1,2,3,4-Tetrahydroisoquinolin-6-ol14446-24-3 (1R,2R)-(-)-trans-1-Amino-2-indanol163061-73-2 (1S,2S)-1-Amino-2-indanol163061-74-3

Elsewhere

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