4,4'-Methylenebis(2-ethylaniline) - ≥97% , CAS No.19900-65-3

CAS: 19900-65-3 Cat. No.: M404724 Formula: C₁₇H₂₂N₂ Peso molecolare: 254.38 Numero EC: 243-420-1

QUALITÀ & PUREZZA ≥97%

Synonyms

EINECS 243-420-1 | Mboea | 2-amino-5-methylthiopehne-3-carbonitrile | 4,4'-Methylene-Bis(2-ethylbenzeneamine) [ME-DDM] | Cambridge id 5312649 | AKOS015964370 | W-107662 | Benzenamine, 4,4'-methylenebis(2-ethyl- | 4-[(4-amino-3-ethyl-phenyl)methyl]-2-ethyl

Storage

Argon charged,Room temperature

Specifiche

Sinonimi

EINECS 243-420-1 | Mboea | 2-amino-5-methylthiopehne-3-carbonitrile | 4,4'-Methylene-Bis(2-ethylbenzeneamine) [ME-DDM] | Cambridge id 5312649 | AKOS015964370 | W-107662 | Benzenamine, 4,4'-methylenebis(2-ethyl- | 4-[(4-amino-3-ethyl-phenyl)methyl]-2-ethyl

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488186487

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186487

Sorrisi canonici

CCC1=C(C=CC(=C1)CC2=CC(=C(C=C2)N)CC)N

IUPAC Name

4-[(4-amino-3-ethylphenyl)methyl]-2-ethylaniline

InChIKey

CBEVWPCAHIAUOD-UHFFFAOYSA-N

INCHI

1S/C17H22N2/c1-3-14-10-12(5-7-16(14)18)9-13-6-8-17(19)15(4-2)11-13/h5-8,10-11H,3-4,9,18-19H2,1-2H3

Isomeri SMILES

CCC1=C(C=CC(=C1)CC2=CC(=C(C=C2)N)CC)N

Numero UN

3077

Gruppo di imballaggio

III

Peso molecolare

254.38

Reaxy-Rn

2856397

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2856397&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Aniline and substituted anilines Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl 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

Proprietà chimiche e fisiche

• Sensibilità: Air Sensitive
• Punto di fusione (°C): 45 °C
• Peso molecolare: 254.370 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 254.178 Da
• Monoisotopic Mass: 254.178 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 240.000
• 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