N-(4-anilinophenyl)cyclopropanecarboxamide , CAS No.458554-43-3

CAS: 458554-43-3 Cat. No.: N668458 Molecular Weight: 252.31 PubChem CID: 730135
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Synonyms
N-(4-anilinophenyl)cyclopropanecarboxamide | MLS000099375 | SMR000071523 | Oprea1_389837 | Oprea1_452995 | cid_730135 | BDBM41115 | CHEBI:120948 | HMS1585F17 | HMS2367J04 | STK002535 | AKOS000491610 | N-(4-phenylazanylphenyl)cyclopropanecarboxamide | N-[4
Storage
Room temperature
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1mg
N668458-1mg
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$571.90

$999.90
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5mg
N668458-5mg
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$1,999.90

$2,999.90
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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 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
N-(4-anilinophenyl)cyclopropanecarboxamide | MLS000099375 | SMR000071523 | Oprea1_389837 | Oprea1_452995 | cid_730135 | BDBM41115 | CHEBI:120948 | HMS1585F17 | HMS2367J04 | STK002535 | AKOS000491610 | N-(4-phenylazanylphenyl)cyclopropanecarboxamide | N-[4
Storage
Room temperature
Product Properties
ALogP3.1
Names and Identifiers
Canonical SmilesC1CC1C(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3
IUPAC NameN-(4-anilinophenyl)cyclopropanecarboxamide
InChIKeyMWPWBJOBJRJKKU-UHFFFAOYSA-N
INCHI1S/C16H16N2O/c19-16(12-6-7-12)18-15-10-8-14(9-11-15)17-13-4-2-1-3-5-13/h1-5,8-12,17H,6-7H2,(H,18,19)
Isomeric SMILES C1CC1C(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3
PubChem CID 730135
Molecular Weight 252.31

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
SubclassAnilides
Intermediate Tree Nodes Not available
Direct ParentAnilides
Alternative Parents N-arylamides  Aniline and substituted anilines  Cyclopropanecarboxylic acids and derivatives  Secondary carboxylic acid amides  Amino acids and derivatives  Secondary amines  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Anilide - N-arylamide - Aniline or substituted anilines - Cyclopropanecarboxylic acid or derivatives - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Secondary amine - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Carbonyl group - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
GFER Tchem FAD-linked sulfhydryl oxidase ALR (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
microRNA 21 (64692 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GFER Tchem FAD-linked sulfhydryl oxidase ALR (1466 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 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
MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Luciferin 4-monooxygenase (66902 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mapt Microtubule-associated protein tau (6 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 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 Weight252.310 g/mol
XLogP33.100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass252.126 Da
Monoisotopic Mass252.126 Da
Topological Polar Surface Area41.100 Ų
Heavy Atom Count19
Formal Charge0
Complexity300.000
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 Count1
Solution Calculators
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