4-(4-Chlorophenoxy)piperidine - ≥98% , CAS No.97839-99-1

CAS: 97839-99-1 Cat. No.: C1369627 分子式: C₁₁H₁₄ClNO 分子量: 211.69 EC番号: 677-503-2

GRADE & PURITY ≥98%

Synonyms

ASINEX-REAGBAS09615184 | 4-(4-CHLORO-PHENOXY)-PIPERIDINE | 4-(4-chlorophenoxy)piperidine(SALTDATA:HCl) | 4-(4-Chloro-phnenoxy)-piperidine | Piperidine,4-(4-chlorophenoxy)-

Storage

Store at 2-8°C,Protected from light,Argon charged,Desiccated

Shipped In

Wet ice

Specifications

同義語

ASINEX-REAGBAS09615184 | 4-(4-CHLORO-PHENOXY)-PIPERIDINE | 4-(4-chlorophenoxy)piperidine(SALTDATA:HCl) | 4-(4-Chloro-phnenoxy)-piperidine | Piperidine,4-(4-chlorophenoxy)-

仕様と純度

≥98%

保管条件

Store at 2-8°C,Protected from light,Argon charged,Desiccated

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

カノニカル・スマイル

C1CNCCC1OC2=CC=C(C=C2)Cl

IUPAC Name

4-(4-chlorophenoxy)piperidine

InChIKey

VOQMPZXAFLPTMM-UHFFFAOYSA-N

INCHI

1S/C11H14ClNO/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h1-4,11,13H,5-8H2

異性体SMILES

C1CNCCC1OC2=CC=C(C=C2)Cl

代替CAS番号

97839-99-1；63843-53-8

分子量

211.69

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Piperidines Aryl chlorides Dialkylamines Azacyclic compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Piperidine - Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Ether - Secondary amine - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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 and moisture sensitive
• 分子量: 211.690 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 211.076 Da
• Monoisotopic Mass: 211.076 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 163.000
• 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