N-Pentylaniline - ≥98% , CAS No.2655-27-8

CAS: 2655-27-8 Cat. No.: N159281 Summenformel: C₁₁H₁₇N Molekulargewicht: 163.26 Beilstein Registry Number: 12(3)271 EG-Nummer: 220-183-2

GRADE & PURITY ≥98%

Synonyms

SB76288 | MFCD00059431 | SCHEMBL96273 | BS-16335 | FT-0732983 | N-Pentylaniline | N-Amyl aniline | N-Amylaniline | P0623 | N-Pentyl-N-phenylamine, AldrichCPR | DTXSID20181123 | N-N-PENTYLANILINE | AKOS000253572 | UMNSMBWAESLVOC-UHFFFAOYSA-N | T72196 | EIN

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyme

SB76288 | MFCD00059431 | SCHEMBL96273 | BS-16335 | FT-0732983 | N-Pentylaniline | N-Amyl aniline | N-Amylaniline | P0623 | N-Pentyl-N-phenylamine, AldrichCPR | DTXSID20181123 | N-N-PENTYLANILINE | AKOS000253572 | UMNSMBWAESLVOC-UHFFFAOYSA-N | T72196 | EIN

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Protected from light

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 528766076
• Kanonisches Lächeln: CCCCCNC1=CC=CC=C1
• IUPAC Name: N-pentylaniline
• InChIKey: UMNSMBWAESLVOC-UHFFFAOYSA-N
• INCHI: 1S/C11H17N/c1-2-3-7-10-12-11-8-5-4-6-9-11/h4-6,8-9,12H,2-3,7,10H2,1H3
• Isomere SMILES: CCCCCNC1=CC=CC=C1
• Molekulargewicht: 163.26
• Beilstein: 12(3)271
• Reaxy-Rn: 2802572
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2802572&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Klasse Organonitrogen compounds
      • Subclass Amines
        • Ebene5 Aralkylamines
          • Ebene6 Phenylalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive
• Brechungsindex: 1.53
• Siedepunkt (°C): 245 °C
• Molekulargewicht: 163.260 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 163.136 Da
• Monoisotopic Mass: 163.136 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 95.200
• 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