N-Propylaniline - ≥98%(GC) , CAS No.622-80-0

CAS: 622-80-0 Cat. No.: N159067 Fórmula: C₉H₁₃N Peso molecular: 135.21 Beilstein Registry Number: 12(3)264 Número EC: 210-754-4

GRADE & PURITY ≥98%(GC)

Synonyms

InChI=1/C9H13N/c1-2-8-10-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H | FT-0715058 | N-PROPYLANILINE | N-propyl-aniline | Aniline, N-n-propyl- | Benzenamine, N-propyl- | STL016111 | BBL012082 | N-propyl aniline | AKOS025396920 | EINECS 210-754-4 | N-(n-Propyl)aniline

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

InChI=1/C9H13N/c1-2-8-10-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H | FT-0715058 | N-PROPYLANILINE | N-propyl-aniline | Aniline, N-n-propyl- | Benzenamine, N-propyl- | STL016111 | BBL012082 | N-propyl aniline | AKOS025396920 | EINECS 210-754-4 | N-(n-Propyl)aniline

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 528765968
• Sonrisas canónicas: CCCNC1=CC=CC=C1
• IUPAC Name: N-propylaniline
• InChIKey: CDZOGLJOFWFVOZ-UHFFFAOYSA-N
• INCHI: 1S/C9H13N/c1-2-8-10-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
• Isómeros SMILES: CCCNC1=CC=CC=C1
• Peso molecular: 135.21
• Beilstein: 12(3)264
• Reaxy-Rn: 2205525
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2205525&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

• Sensibilidad: Light Sensitive
• Índice de refracción: 1.54
• Punto de inflamación (°F): 91°C
• Punto de inflamación (°C): 91°C
• Punto de ebullición (°C): 220°C
• Peso molecular: 135.210 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 135.105 Da
• Monoisotopic Mass: 135.105 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 74.800
• 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. Fanxi Sun, Ang Gao, Boyun Yan, Jing Zhang, Xiangru Wang, Hanjun Zhang, Dacheng Dai, Yonghao Zheng, Xu Deng, Chen Wei, Dongsheng Wang.  (2024)  Self-adaptive photochromism.  Science Advances,  10  (45):   [PMID:39504369] [10.1126/sciadv.ads2217]

2. Ge-liang Xie, Yu Luo, Kai-cheng Xia, Sheng-ren Li, Lujiang Xu, Zhen Fang.  (2026)  Elucidating functional group governance for catalytic synthesis of bio-based aromatic amines.  BIOMASS & BIOENERGY,      [PMID:] [10.1016/j.biombioe.2026.109198]