Palmitanilide - ≥98%(N) , CAS No.6832-98-0

CAS: 6832-98-0 Cat. No.: P160453 분자식: C₂₂H₃₇NO 분자량: 331.54 PubChem CID: 96171

GRADE & PURITY ≥98%(N)

Synonyms

4-((t-butyldimethylsilyl)oxy)benzaldehyde | AB01331508-02 | NSC 57585 | Hexadecanoic acid phenylamide | VENJCACPSJGPCM-UHFFFAOYSA-N | N-Palmitoylaniline | C24H23ClN2O5S | Hexadecanamide, N-phenyl- (9CI) | Palmitanilide | NCGC00338224-01 | VENJCACPSJGPCM-U

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

4-((t-butyldimethylsilyl)oxy)benzaldehyde | AB01331508-02 | NSC 57585 | Hexadecanoic acid phenylamide | VENJCACPSJGPCM-UHFFFAOYSA-N | N-Palmitoylaniline | C24H23ClN2O5S | Hexadecanamide, N-phenyl- (9CI) | Palmitanilide | NCGC00338224-01 | VENJCACPSJGPCM-U

사양 및 순도

≥98%(N)

보관 조건

Room temperature

배송

Normal

순수함

≥98%(N)

이름과 식별자

• Pubchem Sid: 504756305
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756305
• 정식 스마일: CCCCCCCCCCCCCCCC(=O)NC1=CC=CC=C1
• IUPAC Name: N-phenylhexadecanamide
• InChIKey: VENJCACPSJGPCM-UHFFFAOYSA-N
• INCHI: 1S/C22H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-22(24)23-21-18-15-14-16-19-21/h14-16,18-19H,2-13,17,20H2,1H3,(H,23,24)
• 이성체 SMILES: CCCCCCCCCCCCCCCC(=O)NC1=CC=CC=C1
• PubChem CID: 96171
• 분자량: 331.54
• Reaxy-Rn: 2656550

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 Fatty amides Secondary carboxylic acid amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anilide - N-arylamide - Fatty amide - Fatty acyl - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - 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)

CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)

Discover Target: CNR1

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

CNR2 Tchem Cannabinoid CB2 receptor (16942 Activities)

Discover Target: CNR2

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

작용 메커니즘

화학 및 물리적 특성

• 끓는점(°C): 284°C/17mmHg(lit.)
• 녹는점(°C): 90 °C
• 분자량: 331.500 g/mol
• XLogP3: 8.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 15
• Exact Mass: 331.288 Da
• Monoisotopic Mass: 331.288 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 284.000
• 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