2,3-Dimethoxyaniline - ≥98%(GC) , CAS No.6299-67-8

CAS: 6299-67-8 Cat. No.: D137315 Molecular Weight: 153.18 Beilstein Registry Number: 13(3)2104 EC Number: 675-143-0

GRADE & PURITY ≥98%(GC)

Synonyms

SCHEMBL210128 | DTXSID30286335 | AMY28016 | InChI=1/C8H11NO2/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5H,9H2,1-2H3 | 6-methoxy-2-amino anisole | Amino-brenzkatechin-dimethylather | FT-0648042 | 2,3-Dimethoxyaniline # | MFCD00180769 | 2,3-Dimethoxyaniline | Benzenami

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

SCHEMBL210128 | DTXSID30286335 | AMY28016 | InChI=1/C8H11NO2/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5H, 9H2, 1-2H3 | 6-methoxy-2-amino anisole | Amino-brenzkatechin-dimethylather | FT-0648042 | 2, 3-Dimethoxyaniline # | MFCD00180769 | 2, 3-Dimethoxyaniline | Benzenami

Specifications & Purity

≥98%(GC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(GC)

Names and Identifiers

• Canonical Smiles: COC1=CC=CC(=C1OC)N
• IUPAC Name: 2,3-dimethoxyaniline
• InChIKey: HEZIOZBMPKPOER-UHFFFAOYSA-N
• INCHI: 1S/C8H11NO2/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5H,9H2,1-2H3
• Isomeric SMILES: COC1=CC=CC(=C1OC)N
• Molecular Weight: 153.18
• Beilstein: 13(3)2104
• Reaxy-Rn: 2803762
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2803762&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Methoxyanilines Aminophenyl ethers Phenoxy compounds Anisoles Alkyl aryl ethers Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-dimethoxybenzene - Dimethoxybenzene - Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Ether - Primary amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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

• Sensitivity: Air & Light & Heat sensitive
• Refractive Index: 1.56
• Boil Point(°C): 93 °C/1.4 mmHg
• Molecular Weight: 153.180 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 153.079 Da
• Monoisotopic Mass: 153.079 Da
• Topological Polar Surface Area: 44.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 119.000
• 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