3-(Ethylamino)phenol Hemisulfate - ≥98%(HPLC)(T) , CAS No.1274892-48-6

CAS: 1274892-48-6 Cat. No.: E156488 Formula: C₈H₁₁NO·¹/₂H₂SO₄ Peso molecolare: 186.22 PubChem CID: 44630284

GRADE & PURITY ≥98%(HPLC)(T)

Synonyms

DTXSID30659904 | 3-(ethylamino)phenol;sulfuric acid | MFCD03093630 | 1274892-48-6 | Sulfuric acid--3-(ethylamino)phenol (1/2) | 3-Ethylaminophenol hemisulfate | A889189 | AKOS027250831 | 3-(Ethylamino)phenol Hemisulfate | AS-18104 | T71675 | E0534 | 3-(Et

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

DTXSID30659904 | 3-(ethylamino)phenol;sulfuric acid | MFCD03093630 | 1274892-48-6 | Sulfuric acid--3-(ethylamino)phenol (1/2) | 3-Ethylaminophenol hemisulfate | A889189 | AKOS027250831 | 3-(Ethylamino)phenol Hemisulfate | AS-18104 | T71675 | E0534 | 3-(Et

Specifiche e purezza

≥98%(HPLC)(T)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(HPLC)(T)

Nomi e identificatori

Sorrisi canonici

CCNC1=CC(=CC=C1)O.CCNC1=CC(=CC=C1)O.OS(=O)(=O)O

IUPAC Name

3-(ethylamino)phenol;sulfuric acid

InChIKey

CLHKUUQJWJTXSF-UHFFFAOYSA-N

INCHI

1S/2C8H11NO.H2O4S/c2*1-2-9-7-4-3-5-8(10)6-7;1-5(2,3)4/h2*3-6,9-10H,2H2,1H3;(H2,1,2,3,4)

Isomeri SMILES

CCNC1=CC(=CC=C1)O.CCNC1=CC(=CC=C1)O.OS(=O)(=O)O

PubChem CID

44630284

Peso molecolare

186.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Aralkylamines
          • Level6 Phenylalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Aralkylamines
• Direct Parent: Phenylalkylamines
• Alternative Parents: m-Aminophenols Aniline and substituted anilines Secondary alkylarylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organic sulfuric acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: M-aminophenol - Aminophenol - Phenylalkylamine - Aniline or substituted anilines - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Sulfuric acid - Phenol - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Organic sulfuric acid or derivatives - Secondary amine - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylalkylamines. These are organic amines where the amine group is secondary and linked on one end to a phenyl group and on the other end, to an alkyl 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

Proprietà chimiche e fisiche

• Peso molecolare: 372.400 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 372.136 Da
• Monoisotopic Mass: 372.136 Da
• Topological Polar Surface Area: 148.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 177.000
• 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: 3

XLogP3

Domande frequenti

How should this product be stored?

Store at room temperature.

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1274892-48-6, the molecular formula is C8H11NO·¹/2H2SO4, and the molecular weight is 186.22 g/mol. InChIKey CLHKUUQJWJTXSF-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.