Vadocaine , CAS No.72005-58-4

CAS: 72005-58-4 Cat. No.: V1045557 Summenformel: C₁₈H₂₈N₂O₂ Molekulargewicht: 304.400

Storage

Room temperature

Specifications

Storage

Room temperature

Aktionsart

INHIBITOR

Namen und Kennungen

• Kanonisches Lächeln: CC1CCCCN1CCC(=O)NC2=C(C=C(C=C2OC)C)C
• IUPAC Name: N-(2-methoxy-4,6-dimethylphenyl)-3-(2-methylpiperidin-1-yl)propanamide
• InChIKey: UJCARUGFZOJPMI-UHFFFAOYSA-N
• INCHI: 1S/C18H28N2O2/c1-13-11-14(2)18(16(12-13)22-4)19-17(21)8-10-20-9-6-5-7-15(20)3/h11-12,15H,5-10H2,1-4H3,(H,19,21)
• Molekulargewicht: 304.400

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Beta amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Beta amino acids and derivatives
• Alternative Parents: Anilides Methoxyanilines m-Xylenes Anisoles Phenoxy compounds Methoxybenzenes N-arylamides Alkyl aryl ethers Piperidines Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Beta amino acid or derivatives - Methoxyaniline - Anilide - Phenoxy compound - Anisole - M-xylene - Xylene - Phenol ether - Methoxybenzene - N-arylamide - Alkyl aryl ether - Monocyclic benzene moiety - Piperidine - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Azacycle - Ether - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 304.400 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 304.215 Da
• Monoisotopic Mass: 304.215 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 361.000
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 72005-58-4, the molecular formula is C18H28N2O2, and the molecular weight is 304.400 g/mol. InChIKey UJCARUGFZOJPMI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.