3-Aminophenol - ≥99% , CAS No.591-27-5

CAS: 591-27-5 Cat. No.: A301746 Formule: C₆H₇NO Poids moléculaire: 109.13 Beilstein Registry Number: 636059 Numéro CE: 209-711-2

QUALITÉ & PURETÉ ≥99%

Synonyms

m-Hydroxyaniline

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Spécifications

Synonymes

m-Hydroxyaniline

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Protected from light,Room temperature,Argon charged

Expédié en

FedEx DG Service

Pureté

≥99%

Noms et identifiants

Pubchem Sid

504752158

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752158

Sourires canoniques

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

IUPAC Name

3-aminophenol

InChIKey

CWLKGDAVCFYWJK-UHFFFAOYSA-N

INCHI

1S/C6H7NO/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2

Isomères SMILES

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

WGK Allemagne

2

RTECS

SJ4900000

Numéro ONU

2512

Groupe d'emballage

III

Poids moléculaire

109.13

Beilstein

636059

Reaxy-Rn

636059

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636059&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: m-Aminophenols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Primary amines Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-aminophenol - Aniline or substituted anilines - Aminophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• External Descriptors: aminophenol

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

Cibles associées (humaines)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

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CA1 Tclin Carbonic anhydrase I (13240 Activities)

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CA14 Tclin Carbonic anhydrase XIV (1305 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

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CA12 Tclin Carbonic anhydrase XII (6231 Activities)

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CA9 Tclin Carbonic anhydrase IX (8255 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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GMNN Tbio Geminin (128009 Activities)

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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

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RUNX1 Tbio Runt-related transcription factor 1/Core-binding factor subunit beta (7867 Activities)

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Cibles associées (non humaines)

Ca7 Carbonic anhydrase VII (3 Activities)

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Bacillus subtilis (32866 Activities)

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Plasmodium falciparum (966862 Activities)

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Poliovirus 1 (1274 Activities)

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L1210 (27553 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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TGR Thioredoxin glutathione reductase (28579 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water (35 mg/ml at 20°C), ether, alcohol, amyl alcohol, and benzene (slightly).
• Sensibilité: air & light sensitive
• Point d'éclair (°C): 155℃
• Point d'ébullition (°C): 164 °C/11 mmHg
• Point de fusion (°C): 123℃
• Poids moléculaire: 109.130 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 109.053 Da
• Monoisotopic Mass: 109.053 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 74.900
• 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