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

CAS: 3007-74-7 Cat. No.: N159431 分子式: C₁₈H₃₁N 分子量: 261.45 Beilstein Registry Number: 12(3)2776 EC番号: 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

同義語

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 |

仕様と純度

≥93%(GC)

保管条件

Store at 2-8°C,Argon charged

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

≥93%(GC)

名前と識別子

パブケム・シド

504755052

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504755052

カノニカル・スマイル

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

異性体SMILES

CCCCCCCCCCCCNC1=CC=CC=C1

分子量

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
    • 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

• 溶解度: Soluble in Benzene
• 感度: Air Sensitive
• 融点（°C）: 25 °C
• 分子量: 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

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥93% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 3007-74-7, the molecular formula is C18H31N, and the molecular weight is 261.45 g/mol. InChIKey LQKYCMRSWKQVBQ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.