2-Phenylpiperidine - ≥98% , CAS No.3466-80-6

CAS: 3466-80-6 Cat. No.: P160166 분자식: C₁₁H₁₅N 분자량: 161.25 EC 번호: 222-422-6 PubChem CID: 103020

GRADE & PURITY ≥98%

Synonyms

A6090 | SB43043 | DTXSID50956149 | WGIAUTGOUJDVEI-UHFFFAOYSA-N | P-ACETYLPHENYLSULFATEPOTASSIUMSALT | 2-phenyl piperidine | BB 0254270 | Piperidine, 2-phenyl- | FS-1688 | AM803744 | SY022716 | EN300-151396 | J-019700 | FT-0656912 | PD180693 | EINECS 222-4

Storage

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

Shipped In

Wet ice

Specifications

동의어

A6090 | SB43043 | DTXSID50956149 | WGIAUTGOUJDVEI-UHFFFAOYSA-N | P-ACETYLPHENYLSULFATEPOTASSIUMSALT | 2-phenyl piperidine | BB 0254270 | Piperidine, 2-phenyl- | FS-1688 | AM803744 | SY022716 | EN300-151396 | J-019700 | FT-0656912 | PD180693 | EINECS 222-4

사양 및 순도

≥98%

보관 조건

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

배송

Wet ice

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순수함

≥98%

이름과 식별자

• 정식 스마일: C1CCNC(C1)C2=CC=CC=C2
• IUPAC Name: 2-phenylpiperidine
• InChIKey: WGIAUTGOUJDVEI-UHFFFAOYSA-N
• INCHI: 1S/C11H15N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-3,6-7,11-12H,4-5,8-9H2
• 이성체 SMILES: C1CCNC(C1)C2=CC=CC=C2
• PubChem CID: 103020
• 분자량: 161.25
• Reaxy-Rn: 4461

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Piperidines
      • Subclass Phenylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Aralkylamines Benzene and substituted derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperidine - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl 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

화학 및 물리적 특성

• 감도: Air Sensitive
• 굴절률: 1.54
• 발화점(°C): 111 °C
• 끓는점(°C): 112°C/9mmHg(lit.)
• 분자량: 161.240 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 161.12 Da
• Monoisotopic Mass: 161.12 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 127.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1