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2'-Aminoacetophenone - 97%, high purity , CAS No.551-93-9
Basic Description
Synonyms
EINECS 209-002-8 | 2'aminoacetophenone | 2'-Aminoacetophenone | NSC 8820 | HY-I0501 | 2'-Aminoacetophenone, >=98% | 5 kaal | PS-4579 | STR00923 | 1-(2-Aminophenyl)Ethan-1-One | o-Amino acetophenone | 2'-Amonioacetophenone | A0250 | HSDB 5494 | 1-(2-aminop
Specifications & Purity
≥97%
Storage Temp
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Acetophenones Benzoyl derivatives Aryl alkyl ketones Aniline and substituted anilines Vinylogous amides Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Acetophenone - Benzoyl - Aryl alkyl ketone - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - Vinylogous amide - Amine - Primary amine - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488181253
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488181253
IUPAC Name
1-(2-aminophenyl)ethanone
INCHI
InChI=1S/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3
InChIKey
GTDQGKWDWVUKTI-UHFFFAOYSA-N
Smiles
CC(=O)C1=CC=CC=C1N
Isomeric SMILES
CC(=O)C1=CC=CC=C1N
WGK Germany
3
RTECS
AM5775000
Molecular Weight
135.16
Beilstein
386122
Reaxy-Rn
386122
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386122&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Solubility in water: practically insoluble
Sensitivity
Under Inert Atmosphere
Refractive Index
1.614
Flash Point(°F)
235.4 °F
Flash Point(°C)
113 °C
Boil Point(°C)
85-90°C
Molecular Weight
135.160 g/mol
XLogP3
1.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
135.068 Da
Monoisotopic Mass
135.068 Da
Topological Polar Surface Area
43.100 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
133.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
1.
Li Zheng, Jun-jian Situ, Qing-feng Zhu, Ping-gen Xi, Yin Zheng, Hong-xia Liu, Xiaofan Zhou, Zi-de Jiang.
(2019)
Identification of volatile organic compounds for the biocontrol of postharvest litchi fruit pathogen Peronophythora litchii.
POSTHARVEST BIOLOGY AND TECHNOLOGY,
155
(37).
2.
Yuxin Yang, Chunhua Lou, Huixiao Wang, Jingjing Yu.
(2025)
Synthesis and Curing Kinetics of O-aminoacetophenone-modified Dicyandiamide Curing Agents for Epoxy Resin.
THERMOCHIMICA ACTA,
(179963).
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