N,N-Dimethyl-m-anisidine - ≥97% , CAS No.15799-79-8

CAS: 15799-79-8 Cat. No.: N159574 Molecular Weight: 151.21 EC Number: 677-877-7

GRADE & PURITY ≥97%

Synonyms

EN300-1703444 | 3-Methoxy-N,N-dimethylaniline, AldrichCPR | InChI=1/C9H13NO/c1-10(2)8-5-4-6-9(7-8)11-3/h4-7H,1-3H | SY049841 | m-Methoxy- N,N-dimethylanilin | N,N-Dimethyl-m-anisidine | 3-Methoxy-N,N-dimethylbenzenamine | DTXSID00166337 | 3-Dimethylaminoa

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

EN300-1703444 | 3-Methoxy-N, N-dimethylaniline, AldrichCPR | InChI=1/C9H13NO/c1-10(2)8-5-4-6-9(7-8)11-3/h4-7H, 1-3H | SY049841 | m-Methoxy- N, N-dimethylanilin | N, N-Dimethyl-m-anisidine | 3-Methoxy-N, N-dimethylbenzenamine | DTXSID00166337 | 3-Dimethylaminoa

Specifications & Purity

≥97%

Storage

Protected from light, Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488188056
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188056
• Canonical Smiles: CN(C)C1=CC(=CC=C1)OC
• IUPAC Name: 3-methoxy-N,N-dimethylaniline
• InChIKey: MOYHVSKDHLMMPS-UHFFFAOYSA-N
• INCHI: 1S/C9H13NO/c1-10(2)8-5-4-6-9(7-8)11-3/h4-7H,1-3H3
• Isomeric SMILES: CN(C)C1=CC(=CC=C1)OC
• Molecular Weight: 151.21
• Reaxy-Rn: 1423591
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1423591&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers
      • Subclass Aminophenyl ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Aminophenyl ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminophenyl ethers
• Alternative Parents: Methoxyanilines Phenoxy compounds Methoxybenzenes Dialkylarylamines Anisoles Alkyl aryl ethers Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Tertiary aliphatic/aromatic amine - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Alkyl aryl ether - Monocyclic benzene moiety - Tertiary amine - Ether - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine group on the benzene ring.
• 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

Chemical and Physical Properties

• Solubility: Not miscible or difficult to mix in water.
• Sensitivity: Light Sensitive,Air Sensitive
• Refractive Index: 1.56
• Flash Point(°C): 130 °C
• Boil Point(°C): 123°C/17mmHg(lit.)
• Molecular Weight: 151.210 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 151.1 Da
• Monoisotopic Mass: 151.1 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 114.000
• 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

References

1. Ke Ma, Jianxia Dong, Dingyuan Yan, Deliang Wang, Yuanwei Wang, Jianxing Wang, Dong Wang, Hui Tan, Ben Zhong Tang.  (2024)  Molecular Engineering of AIE-Active Photosensitizers with High Biosafety for Effect Extracellular Antibacteria.  Small,      [PMID:39676412] [10.1002/smll.202403937]