3-Nitrotyramin - ≥98% , CAS No.49607-15-0

CAS: 49607-15-0 Cat. No.: N193570 Summenformel: C₈H₁₀N₂O₃ Molekulargewicht: 182.18

GRADE & PURITY ≥98%

Synonyms

CHEBI:71233 | 3-Nitrotyramine | A871771 | 4-(2-Aminoethyl)-2-nitrophenol | MFCD00238620 | Q27139458 | I11254 | Phenol, 4-(2-aminoethyl)-2-nitro- | DTXSID50596867 | IUCYCHQMRZWPGT-UHFFFAOYSA-N | 1-amino-2-(3-nitro-4-hydroxyphenyl)ethane | SCHEMBL1467557 |

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

CHEBI:71233 | 3-Nitrotyramine | A871771 | 4-(2-Aminoethyl)-2-nitrophenol | MFCD00238620 | Q27139458 | I11254 | Phenol, 4-(2-aminoethyl)-2-nitro- | DTXSID50596867 | IUCYCHQMRZWPGT-UHFFFAOYSA-N | 1-amino-2-(3-nitro-4-hydroxyphenyl)ethane | SCHEMBL1467557 |

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: C1=CC(=C(C=C1CCN)[N+](=O)[O-])O
• IUPAC Name: 4-(2-aminoethyl)-2-nitrophenol
• InChIKey: IUCYCHQMRZWPGT-UHFFFAOYSA-N
• INCHI: 1S/C8H10N2O3/c9-4-3-6-1-2-8(11)7(5-6)10(12)13/h1-2,5,11H,3-4,9H2
• Isomere SMILES: C1=CC(=C(C=C1CCN)[N+](=O)[O-])O
• Molekulargewicht: 182.18
• Reaxy-Rn: 2837315
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2837315&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenols
      • Subclass Nitrophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenols
• Subclass: Nitrophenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrophenols
• Alternative Parents: Phenethylamines Nitrobenzenes Nitroaromatic compounds 2-arylethylamines Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organic zwitterions Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenol - Nitrobenzene - Phenethylamine - Nitroaromatic compound - 2-arylethylamine - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Monocyclic benzene moiety - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxygen compound - Primary amine - Amine - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Hydrocarbon derivative - Organic nitrogen compound - Primary aliphatic amine - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as nitrophenols. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms.
• External Descriptors: C-nitro compound - tyramines

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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 182.180 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 182.069 Da
• Monoisotopic Mass: 182.069 Da
• Topological Polar Surface Area: 92.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 181.000
• 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