Normetanephrine - Moligand™, ≥94% , CAS No.97-31-4

CAS: 97-31-4 Cat. No.: N612364 Formule: C₉H₁₃NO₃ Poids moléculaire: 183.20 Numéro CE: 959-440-5 PubChem CID: 1237

GRADE & PURITY Moligand™, ≥94%

Synonyms

dl-Normetanephrine | (±)-Normetanephrine

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonymes

dl-Normetanephrine | (±)-Normetanephrine

Spécifications et pureté

Moligand™, ≥94%

Conditions de stockage de stockage

Store at 2-8°C,Protected from light

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Pureté

≥94%

Noms et identifiants

• Pubchem Sid: 528766402
• Sourires canoniques: NCC(c1ccc(c(c1)OC)O)O
• IUPAC Name: 4-(2-Amino-1-hydroxyethyl)-2-methoxyphenol
• InChIKey: YNYAYWLBAHXHLL-UHFFFAOYSA-N
• INCHI: 1S/C9H13NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,5,10H2,1H3
• Isomères SMILES: COC1=C(C=CC(=C1)C(CN)O)O
• CAS alternatif: 1011-74-1
• PubChem CID: 1237
• Poids moléculaire: 183.20

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Aralkylamines Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Secondary alcohols 1,2-aminoalcohols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Monocyclic benzene moiety - Secondary alcohol - 1,2-aminoalcohol - Ether - Primary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Alcohol - Aromatic alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• External Descriptors: a guaiacol

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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Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: moisture sensitive；light sensitive
• Poids moléculaire: 183.200 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 183.09 Da
• Monoisotopic Mass: 183.09 Da
• Topological Polar Surface Area: 75.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 154.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1