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 CE: 210-754-4

GRAU & PUREZA ≥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

Especificações

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

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

Pubchem Sid

528765968

Sorrisos canónicos

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

SMILES isoméricas

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
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Aralkylamines
          • Level6 Phenylalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Sensibilidade: Light Sensitive
• Índice de refração: 1.54
• Ponto de inflamação (°F): 91°C
• Ponto de inflamação (°C): 91°C
• Ponto de ebulição (°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