N-Dodecylaniline - ≥93%(GC) , CAS No.3007-74-7

CAS: 3007-74-7 Cat. No.: N159431 Peso molecular: 261.45 Beilstein Registry Number: 12(3)2776 Número EC: 221-118-0

GRADE & PURITY ≥93%(GC)

Synonyms

n-Dodecyl-N-phenylamine | D0987 | N-dodecylaminobenzene | Benzenamine, N-dodecyl- | D89754 | DODECYLANILINE, N- | n-Dodecyl-N-phenylamine # | N-N-Dodecylaniline | DTXSID1073311 | Q27255820 | 1-(2,5-DIMETHOXYBENZYL)PIPERAZINEHYDROCHLORIDE | MFCD00026570 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

n-Dodecyl-N-phenylamine | D0987 | N-dodecylaminobenzene | Benzenamine, N-dodecyl- | D89754 | DODECYLANILINE, N- | n-Dodecyl-N-phenylamine # | N-N-Dodecylaniline | DTXSID1073311 | Q27255820 | 1-(2, 5-DIMETHOXYBENZYL)PIPERAZINEHYDROCHLORIDE | MFCD00026570 |

Especificaciones y pureza

≥93%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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Pureza

≥93%(GC)

Nombres e identificadores

• Pubchem Sid: 504755052
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755052
• Sonrisas canónicas: CCCCCCCCCCCCNC1=CC=CC=C1
• IUPAC Name: N-dodecylaniline
• InChIKey: LQKYCMRSWKQVBQ-UHFFFAOYSA-N
• INCHI: 1S/C18H31N/c1-2-3-4-5-6-7-8-9-10-14-17-19-18-15-12-11-13-16-18/h11-13,15-16,19H,2-10,14,17H2,1H3
• Isómeros SMILES: CCCCCCCCCCCCNC1=CC=CC=C1
• Peso molecular: 261.45
• Beilstein: 12(3)2776
• Reaxy-Rn: 2725280
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2725280&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Aralkylamines
• Direct Parent: Phenylalkylamines
• Alternative Parents: Aniline and substituted anilines Secondary alkylarylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Secondary amine - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in Benzene
• Sensibilidad: Air Sensitive
• Punto de fusión (°C): 25 °C
• Peso molecular: 261.399 g/mol
• XLogP3: 7.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 12
• Exact Mass: 261.246 Da
• Monoisotopic Mass: 261.246 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 173.000
• 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

Referencias

1. Lin Chen, Yunpeng Wang, Yifei Lang, Wen Wen, Zhongping Li, Huazhang Zhao, Yingfu Li, Nan Hu.  (2025)  Enhanced Removal of Sulfur-Containing Ions Post Persulfate Advanced Oxidation: Interfacial Adsorption-Mediated Foam Fractionation Process by Amphiphilic Graphene Oxide.  WATER RESEARCH,      [PMID:41242194] [10.1016/j.watres.2025.124923]