Results for:
PubChem ID: 7468

1-(4-aminophenyl)ethanone

Compound Details

Synonymous names
4'-Aminoacetophenone
99-92-3
4-Aminoacetophenone
1-(4-Aminophenyl)ethanone
p-Aminoacetophenone
4-ACETYLANILINE
p-Acetylaniline
Ethanone, 1-(4-aminophenyl)-
p-Aminoacetylbenzene
1-(4-Aminophenyl)Ethan-1-One
Acetophenone, 4'-amino-
Acetophenone, p-amino-
p-Aminoacetofenonu
USAF EK-631
NSC 3242
MFCD00007896
1-(4-Aminophenyl)-ethanone
1S58KH902I
NSC-3242
Acetophenone, 4-amino-
p-Aminoacetofenonu [Polish]
4'-aminoacetophenon
p-amino acetophenone
CCRIS 5061
HSDB 2711
1-acetyl-4-aminobenzene
EINECS 202-801-2
BRN 0471493
UNII-1S58KH902I
4-acetylanilin
AI3-01092
p-aminoacetophenon
p-amino-acetophenone
4-acetyl phenylamine
4-amino acetophenone
para-amino acetophenone
4'-Amino acetophenone
4-AMINO-ACETOPHENON
WLN: ZR DV1
1-(4-aminophenyl) ethanone
4'-Aminoacetophenone, 99%
4-14-00-00100 (Beilstein Handbook Reference)
SCHEMBL223335
4-ACETYLANILINE [HSDB]
CHEMBL3278329
DTXSID6052669
SCHEMBL12918413
NSC3242
BCP30575
STR00944
STL181959
AKOS000119076
CS-W009534
HY-W008818
MCULE-4764145437
PS-4587
SB75393
BP-13068
SY011145
A0251
NS00009372
4 inverted exclamation mark -Aminoacetophenone
EN300-17971
F11286
p-Aminoacetophenone; 1-(4-Aminophenyl)-ethanone
A846101
AC-907/25014209
W-100008
Q27252822
Z57127377
F2146-0311
CLENBUTEROL HYDROCHLORIDE IMPURITY D [EP IMPURITY]
InChI=1/C8H9NO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,9H2,1H
4'-Aminoacetophenone, for spectrophotometric det. of Ce, Pd, >=98.0% (NT)
4'-Aminoacetophenone, Pharmaceutical Secondary Standard; Certified Reference Material
1-(4-Aminophenyl)ethanone;p-Aminoacetophenone; 1-Acetyl-4-aminobenzene; 4-Acetylaniline; 4-Acetylphenylamine;Clenbuterol Impurity D
Microorganism:

Yes

IUPAC name1-(4-aminophenyl)ethanone
SMILESCC(=O)C1=CC=C(C=C1)N
InchiInChI=1S/C8H9NO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,9H2,1H3
FormulaC8H9NO
PubChem ID7468
Molweight135.16
LogP0.8
Atoms10
Bonds1
H-bond Acceptor2
H-bond Donor1
Chemical Classificationaromatic ketones amines aromatic compounds benzenoids ketones nitrogen compounds
Supernatural-IDSN0112074

mVOC Specific Details

Boiling Point
DegreeReference
294 °C peer reviewed
Volatilization
The Henry's Law constant for 4-acetylaniline is estimated as 4.4X10-9 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 4-acetylaniline is expected to be essentially nonvolatile from water and moist soil surfaces(2). 4-Acetylaniline is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 4.3X10-4 mm Hg(SRC), determined from a fragment constant method(3).
Soil Adsorption
The Koc of 4-acetylaniline is estimated as 25(SRC), using a log Kow of 0.83(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 4-acetylaniline is expected to have very high mobility in soil. However, aromatic amines are expected to bind strongly to humus or organic matter in soils due to the high reactivity of the aromatic amino group(4,5), suggesting that mobility may be much lower in some soils(SRC). The initial bonding reaction is followed by a slower and much less reversible reaction believed to represent the addition of the amine to quinoidal structures followed by oxidation of the product to give an amino-substituted quinone; these processes represent pathways by which aromatic amines may be converted to latent forms in the biosphere(6).
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas Sp.antifungal activity against Thielaviopsis ethacetica mycelial growthBrazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; BrazilFreitas et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas Sp.LB mediaHS-SPME/GC-MSno