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340,000+ 연구 제품 · Triple ISO certified · COA & SDS 모든 제품에 대한 사용 가능 · 주식 상품에 대한 같은 날 배송

Amiperone , CAS No.1580-71-8

Name: Amiperone , CAS No.1580-71-8
Brand: Aladdin Scientific
SKU: A667952
Availability: InStock

CAS: 1580-71-8 Cat. No.: A667952 분자식: C₂₄H₂₈ClFN₂O₂ 분자량: 430.9 PubChem CID: 71101

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Amiperone - CAS No(1580-71-8) by Aladdin Scientific

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주문 가능

Synonyms

Amiperone | Paraperidide | Paraperidine | Amiperone [INN] | R 2962 | NSC 170979 | NSC-170979 | 4-(p-Chlorophenyl)-1-(3-(p-fluorobenzoyl)propyl)-N,N-dimethylisonipecotamide | FTX5V7543O | R-2962 | NSC170979 | 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxob

Storage

Room temperature

사양 제품 특성 이름과 식별자 문서 고급 데이터 Taxonomic Classification 3D 구조 관련 대상(인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 솔루션 계산기 리뷰

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보관 및 배송

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품질 문서

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사양

동의어

보관 조건

Room temperature

제품 특성

ALogP

3.5

이름과 식별자

정식 스마일

CN(C)C(=O)C1(CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl

IUPAC Name

4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-N,N-dimethylpiperidine-4-carboxamide

InChIKey

WMVSIGOLIQMRHF-UHFFFAOYSA-N

INCHI

1S/C24H28ClFN2O2/c1-27(2)23(30)24(19-7-9-20(25)10-8-19)13-16-28(17-14-24)15-3-4-22(29)18-5-11-21(26)12-6-18/h5-12H,3-4,13-17H2,1-2H3

이성체 SMILES

CN(C)C(=O)C1(CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl

PubChem CID

71101

분자량

430.9

문서

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고급 데이터

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - 분류 Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Alkyl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
분류	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Alkyl-phenylketones
Alternative Parents	Phenylpiperidines Phenylbutylamines Butyrophenones Phenylacetamides Piperidinecarboxamides Aryl alkyl ketones Benzoyl derivatives Aralkylamines Fluorobenzenes Chlorobenzenes Aryl chlorides Aryl fluorides Gamma-amino ketones Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organopnictogen compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Alkyl-phenylketone - Phenylpiperidine - Phenylbutylamine - Butyrophenone - Phenylacetamide - Piperidinecarboxamide - Benzoyl - Aryl alkyl ketone - Halobenzene - Aralkylamine - Fluorobenzene - Chlorobenzene - Aryl chloride - Benzenoid - Piperidine - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Gamma-aminoketone - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
설명	This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors	Not available
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

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분자량	430.900 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	430.182 Da
Monoisotopic Mass	430.182 Da
Topological Polar Surface Area	40.600 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	576.000
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