4-Aminobenzaldehyde Polymer - Reagent grade , CAS No.28107-09-7

CAS: 28107-09-7 Cat. No.: A405596 Summenformel: (NC₆H₄CH)n

GRADE & PURITY Reagent Grade

Synonyms

STL163885 | 4-14-00-00048 (Beilstein Handbook Reference) | 74Q1671TS1 | 4-azanylbenzaldehyde | NSC 45163 | Q21099246 | UNII-74Q1671TS1 | HY-W076836 | P-AMINOBENZALDEHYDE | p-amino-benzaldehyde | NSC60117 | NSC-60117 | A936241 | SY003470 | A0260 | 4-Aminob

Storage

Room temperature

Specifications

Synonyme

STL163885 | 4-14-00-00048 (Beilstein Handbook Reference) | 74Q1671TS1 | 4-azanylbenzaldehyde | NSC 45163 | Q21099246 | UNII-74Q1671TS1 | HY-W076836 | P-AMINOBENZALDEHYDE | p-amino-benzaldehyde | NSC60117 | NSC-60117 | A936241 | SY003470 | A0260 | 4-Aminob

Spezifikationen & Reinheit

Reagent grade

Storage

Room temperature

Note

Reagent Grade

Namen und Kennungen

Pubchem Sid

488181274

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181274

Kanonisches Lächeln

C1=CC(=CC=C1C=O)N

IUPAC Name

4-aminobenzaldehyde

InChIKey

VATYWCRQDJIRAI-UHFFFAOYSA-N

INCHI

1S/C7H7NO/c8-7-3-1-6(5-9)2-4-7/h1-5H,8H2

Isomere SMILES

C1=CC(=CC=C1C=O)N

Reaxy-Rn

1362885

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1362885&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Benzaldehydes Aniline and substituted anilines Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Benzoyl - Benzaldehyde - Aryl-aldehyde - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aldehyde - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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.

DOI: 10.1186/s13321-016-0174-y

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MPO Tchem Myeloperoxidase (1002 Activities)

Discover Target: MPO

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 121.140 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 121.053 Da
• Monoisotopic Mass: 121.053 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 95.100
• 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