4-(Benzyloxy)-2-methylaniline - ≥97% , CAS No.4792-60-3

CAS: 4792-60-3 Cat. No.: B184705 Formula: C₁₄H₁₅NO Peso molecolare: 213.3 Numero EC: 836-709-4

QUALITÀ & PUREZZA ≥97%

Synonyms

4-(BENZYLOXY)-2-METHYLANILINE|4792-60-3|2-methyl-4-phenylmethoxyaniline|4-Benzyloxy-2-methylaniline|4-benzyloxy-2-methyl aniline|SCHEMBL1894067|4-benzyloxy-2-methylphenylamine|DTXSID50588227|YMZVPMQBIGSBOW-UHFFFAOYSA-N|MFCD08686869|AKOS000129220|SB76967|M

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

4-(BENZYLOXY)-2-METHYLANILINE | 4792-60-3 | 2-methyl-4-phenylmethoxyaniline | 4-Benzyloxy-2-methylaniline | 4-benzyloxy-2-methyl aniline | SCHEMBL1894067 | 4-benzyloxy-2-methylphenylamine | DTXSID50588227 | YMZVPMQBIGSBOW-UHFFFAOYSA-N | MFCD08686869 | AKOS000129220 | SB76967 | M

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

CC1=C(C=CC(=C1)OCC2=CC=CC=C2)N

IUPAC Name

2-methyl-4-phenylmethoxyaniline

InChIKey

YMZVPMQBIGSBOW-UHFFFAOYSA-N

INCHI

1S/C14H15NO/c1-11-9-13(7-8-14(11)15)16-10-12-5-3-2-4-6-12/h2-9H,10,15H2,1H3

Isomeri SMILES

CC1=C(C=CC(=C1)OCC2=CC=CC=C2)N

Peso molecolare

213.3

Reaxy-Rn

2111200

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2111200&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Aminophenyl ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminophenyl ethers
• Alternative Parents: Phenoxy compounds Aniline and substituted anilines Aminotoluenes Alkyl aryl ethers Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenyl ether - Phenoxy compound - Aniline or substituted anilines - Aminotoluene - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Ether - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 213.270 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 213.115 Da
• Monoisotopic Mass: 213.115 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 201.000
• 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