4-Phenylpiperidine - ≥97% , CAS No.771-99-3

CAS: 771-99-3 Cat. No.: P119111 분자식: C₁₁H₁₅N 분자량: 161.24 Beilstein Registry Number: 124508 EC 번호: 212-243-1

GRADE & PURITY ≥97%

Synonyms

EINECS 212-243-1 | SCHEMBL4574 | DTXSID40227890 | P1555 | PD093543 | 4-Phenylpiperidine | 4-Phenyl-piperidine | BB 0237057 | A9776 | AKOS000208931 | (4-phenyl)piperidine | 4-(phenyl)piperidine | EN300-39947 | AB00564 | Piperidine, 4-phenyl- | STK500866 |

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

동의어

EINECS 212-243-1 | SCHEMBL4574 | DTXSID40227890 | P1555 | PD093543 | 4-Phenylpiperidine | 4-Phenyl-piperidine | BB 0237057 | A9776 | AKOS000208931 | (4-phenyl)piperidine | 4-(phenyl)piperidine | EN300-39947 | AB00564 | Piperidine, 4-phenyl- | STK500866 |

사양 및 순도

≥97%

보관 조건

Room temperature,Argon charged

배송

Normal

순수함

≥97%

이름과 식별자

Pubchem Sid

488184423

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184423

정식 스마일

C1CNCCC1C2=CC=CC=C2

IUPAC Name

4-phenylpiperidine

InChIKey

UTBULQCHEUWJNV-UHFFFAOYSA-N

INCHI

1S/C11H15N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5,11-12H,6-9H2

이성체 SMILES

C1CNCCC1C2=CC=CC=C2

WGK 독일

3

대체 CAS

10272-49-8

분자량

161.24

Beilstein

124508

Reaxy-Rn

124508

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=124508&ln=

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

관련 대상(인간)

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Discover Target: HTR1A

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관련 대상(비인간)

Vesicular acetylcholine transporter (105 Activities)

Explore this target

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Sigmar1 Sigma opioid receptor (160 Activities)

Discover Target: Sigmar1

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작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in Methanol
• 감도: Air Sensitive
• 끓는점(°C): 255-257°C
• 녹는점(°C): 61-65°C
• 분자량: 161.240 g/mol
• XLogP3: 2.000
• 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: 121.000
• 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