N-Phenylpropanamide - ≥98% , CAS No.620-71-3

CAS: 620-71-3 Cat. No.: N136678 분자식: C₉H₁₁NO 분자량: 149.19 EC 번호: 210-649-3

GRADE & PURITY ≥98%

Synonyms

N-Phenylpropanamide # | NSC 58952 | BRN 2207039 | HMS2269F06 | InChI=1/C9H11NO/c1-2-9(11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11) | R 50977 | N-PHENYLPROPANAMIDE [NFLIS-DRUG] | SMR000639131 | CH3CH2CONHPh | DTXSID0060721 | REMIFENTANIL HYDROCHLORIDE IMPUR

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

개요

It is a degradation product of Fentanyl.

Specifications

동의어

N-Phenylpropanamide # | NSC 58952 | BRN 2207039 | HMS2269F06 | InChI=1/C9H11NO/c1-2-9(11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11) | R 50977 | N-PHENYLPROPANAMIDE [NFLIS-DRUG] | SMR000639131 | CH3CH2CONHPh | DTXSID0060721 | REMIFENTANIL HYDROCHLORIDE IMPUR

사양 및 순도

≥98%

보관 조건

Room temperature,Argon charged,Desiccated

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

504752262

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752262

정식 스마일

CCC(=O)NC1=CC=CC=C1

IUPAC Name

N-phenylpropanamide

InChIKey

ZTHRQJQJODGZHV-UHFFFAOYSA-N

INCHI

1S/C9H11NO/c1-2-9(11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)

이성체 SMILES

CCC(=O)NC1=CC=CC=C1

분자량

149.19

Reaxy-Rn

2207039

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2207039&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: N-arylamides Secondary carboxylic acid amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anilide - N-arylamide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• 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)

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

관련 대상(비인간)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 감도: Air sensitive
• 녹는점(°C): 107 °C
• 분자량: 149.190 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 149.084 Da
• Monoisotopic Mass: 149.084 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 128.000
• 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