N,N-Dimethyl-3-aminophenol - ≥97%(GC) , CAS No.99-07-0

CAS: 99-07-0 Cat. No.: D124561 Peso molecular: 137.18 Beilstein Registry Number: 774631 Número EC: 202-727-0

GRADE & PURITY ≥97%(GC)

Synonyms

SMR001224494 | 3-(Dimethylamlno)phenol | DIMETHYLAMINO) PHENOL, 3-( | Tox21_201927 | CAS-99-07-0 | DTXSID0025101 | m-(Dimethylamino)phenol | Phenol, m-(dimethylamino)- | DTXCID105101 | MFCD00002264 | Phenol, 3-(dimethylamino)- | NEOSTIGMINE BROMIDE IMPURI

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

3-Dimethylaminophenol can be used as neostigmine bromide intermediate and dye intermediate.

Specifications

Sinónimos

SMR001224494 | 3-(Dimethylamlno)phenol | DIMETHYLAMINO) PHENOL, 3-( | Tox21_201927 | CAS-99-07-0 | DTXSID0025101 | m-(Dimethylamino)phenol | Phenol, m-(dimethylamino)- | DTXCID105101 | MFCD00002264 | Phenol, 3-(dimethylamino)- | NEOSTIGMINE BROMIDE IMPURI

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%(GC)

Nombres e identificadores

• Pubchem Sid: 488180422
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180422
• Sonrisas canónicas: CN(C)C1=CC(=CC=C1)O
• IUPAC Name: 3-(dimethylamino)phenol
• InChIKey: MESJRHHDBDCQTH-UHFFFAOYSA-N
• INCHI: 1S/C8H11NO/c1-9(2)7-4-3-5-8(10)6-7/h3-6,10H,1-2H3
• Isómeros SMILES: CN(C)C1=CC(=CC=C1)O
• WGK Alemania: 3
• RTECS: SL1050000
• Peso molecular: 137.18
• Beilstein: 774631
• Reaxy-Rn: 774631
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774631&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: m-Aminophenols Aniline and substituted anilines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-aminophenol - Aniline or substituted anilines - Dialkylarylamine - Aminophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group.
• 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

Objetivos asociados (humanos)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

Objetivos asociados (no humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

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

L1210 (27553 Activities)

Explore this target

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

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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

skn-1 Protein skinhead-1 (1832 Activities)

Discover Target: skn-1

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water.
• Sensibilidad: Air & Light sensitive
• Punto de inflamación (°F): 298.4 °F
• Punto de inflamación (°C): 148℃(298°F)
• Punto de ebullición (°C): 268°C
• Punto de fusión (°C): 84.0-87.0°C
• Peso molecular: 137.180 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 137.084 Da
• Monoisotopic Mass: 137.084 Da
• Topological Polar Surface Area: 23.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 103.000
• 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

Referencias

1. Yingying Jing, Guoyong Liu, Chenshuang Zhang, Bin Yu, Jian Sun, Danying Lin, Junle Qu.  (2022)  Lipophilic Red-Emitting Carbon Dots for Detecting and Tracking Lipid Droplets in Live Cells.  ACS Applied Bio Materials,      [PMID:35195413] [10.1021/acsabm.1c01230]