2-Aminoacetophenone hydrochloride - ≥98% , CAS No.5468-37-1

CAS: 5468-37-1 Cat. No.: A123237 Molecular Weight: 171.62 Beilstein Registry Number: 3563173 EC Number: 226-787-2
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
MFCD00012873 | ACETALDEHYDE,PARA-METHYLPHENOXY | 2-oxo-2-phenylethanaminium chloride | SCHEMBL194804 | 2-aminoacetophenonehydrochloride | SPECTRUM501332 | 2-Aminoacetophenone hydrochloride, 99% | FT-0611222 | ?-Aminoacetophenone hydrochloride | omega-Amin
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
A123237-5g
9
$9.90
25g
A123237-25g
6
$25.90
100g
A123237-100g
9
$84.90
500g
A123237-500g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$339.90
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
MFCD00012873 | ACETALDEHYDE, PARA-METHYLPHENOXY | 2-oxo-2-phenylethanaminium chloride | SCHEMBL194804 | 2-aminoacetophenonehydrochloride | SPECTRUM501332 | 2-Aminoacetophenone hydrochloride, 99% | FT-0611222 | ?-Aminoacetophenone hydrochloride | omega-Amin
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid488192159
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488192159
Canonical SmilesC1=CC=C(C=C1)C(=O)CN.Cl
IUPAC Name2-amino-1-phenylethanone;hydrochloride
InChIKeyCVXGFPPAIUELDV-UHFFFAOYSA-N
INCHI1S/C8H9NO.ClH/c9-6-8(10)7-4-2-1-3-5-7;/h1-5H,6,9H2;1H
Isomeric SMILES C1=CC=C(C=C1)C(=O)CN.Cl
WGK Germany 3
Molecular Weight 171.62
Beilstein 3563173
Reaxy-Rn 3563173
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3563173&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones
Direct ParentAlkyl-phenylketones
Alternative Parents Benzoyl derivatives  Aryl alkyl ketones  Alpha-amino ketones  Organopnictogen compounds  Organic zwitterions  Organic oxides  Organic chloride salts  Monoalkylamines  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - Alpha-aminoketone - Organic chloride salt - Organic salt - Organopnictogen compound - Amine - Organic zwitterion - Primary amine - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Taar1 Trace amine-associated receptor 1 (899 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Drosophila (190 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

14 results found

Lot NumberCertificate TypeDateItem
J2109131Certificate of AnalysisJul 14, 2025 A123237
H2408094Certificate of AnalysisApr 15, 2024 A123237
H2408095Certificate of AnalysisApr 15, 2024 A123237
H1412084Certificate of AnalysisJun 14, 2022 A123237
B1420063Certificate of AnalysisMar 15, 2022 A123237
C2606196Certificate of AnalysisMar 04, 2022 A123237
C2616055Certificate of AnalysisMar 04, 2022 A123237
D2220013Certificate of AnalysisMar 04, 2022 A123237
D2220014Certificate of AnalysisMar 04, 2022 A123237
D2220015Certificate of AnalysisMar 04, 2022 A123237
E2312022Certificate of AnalysisMar 04, 2022 A123237
E2312110Certificate of AnalysisMar 04, 2022 A123237
E2312156Certificate of AnalysisMar 04, 2022 A123237
F2329278Certificate of AnalysisMar 04, 2022 A123237

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Chemical and Physical Properties
Melt Point(°C)194°C
Molecular Weight171.620 g/mol
XLogP3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass171.045 Da
Monoisotopic Mass171.045 Da
Topological Polar Surface Area43.100 Ų
Heavy Atom Count11
Formal Charge0
Complexity116.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
Solution Calculators
Reviews

Customer Reviews

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