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

CAS: 2655-27-8 Cat. No.: N159281 分子式: C₁₁H₁₇N 分子量: 163.26 Beilstein Registry Number: 12(3)271 EC番号: 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

同義語

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

仕様と純度

≥98%

保管条件

Store at 2-8°C,Protected from light

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

528766076

カノニカル・スマイル

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

異性体SMILES

CCCCCNC1=CC=CC=C1

分子量

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 感度: Light sensitive
• 屈折率: 1.53
• 沸点（°C）: 245 °C
• 分子量: 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