PYRUVIC ALDEHYDE 1-PHENYLHYDRAZONE , CAS No.5391-74-2

CAS: 5391-74-2 Cat. No.: P170873 Molecular Weight: 162.193 EC Number: 637-268-9 PubChem CID: 5717316
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Synonyms
(E)-1-(2-phenylhydrazono)propan-2-one | AKOS005090465 | CBA84396 | MFCD00026242 | A829831 | MLS000327675 | Pyruvaldehyde, 1-(phenylhydrazone) | (1E)-1-(phenylhydrazono)propan-2-one;1-(2-Phenylhydrazono)propan-2-one | DTXSID00420845 | SMR000180713 | 4L-327
Storage
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Shipped In
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Qty
250mg
P170873-250mg
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

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

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Quality documents

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

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Literature proof

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

Specifications

Synonyms
(E)-1-(2-phenylhydrazono)propan-2-one | AKOS005090465 | CBA84396 | MFCD00026242 | A829831 | MLS000327675 | Pyruvaldehyde, 1-(phenylhydrazone) | (1E)-1-(phenylhydrazono)propan-2-one;1-(2-Phenylhydrazono)propan-2-one | DTXSID00420845 | SMR000180713 | 4L-327
Storage
Room temperature
Shipped In
Normal
Names and Identifiers
Canonical SmilesCC(=O)C=NNC1=CC=CC=C1
IUPAC Name(1E)-1-(phenylhydrazinylidene)propan-2-one
InChIKeyPWELTGGNVDVIGR-JXMROGBWSA-N
INCHI1S/C9H10N2O/c1-8(12)7-10-11-9-5-3-2-4-6-9/h2-7,11H,1H3/b10-7+
Isomeric SMILES CC(=O)/C=N/NC1=CC=CC=C1
PubChem CID 5717316
Molecular Weight 162.193

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (COA)

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

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassPhenylhydrazines
Intermediate Tree Nodes Not available
Direct ParentPhenylhydrazines
Alternative Parents Ketones  Hydrazones  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Phenylhydrazine - Ketone - Hydrazone - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylhydrazines. These are compounds containing a phenylhydrazide moiety, which consists of a hydrazide substituent attached to a phenyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
ampC Beta-lactamase AmpC (62480 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 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:
Chemical and Physical Properties
Molecular Weight162.190 g/mol
XLogP32.300
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass162.079 Da
Monoisotopic Mass162.079 Da
Topological Polar Surface Area41.500 Ų
Heavy Atom Count12
Formal Charge0
Complexity171.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Solution Calculators
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