Linalyl anthranilate - ≥96% , CAS No.7149-26-0

CAS: 7149-26-0 Cat. No.: L1064631 分子式: C₁₇H₂₃NO₂ 分子量: 273.370 EC番号: 230-472-5

GRADE & PURITY ≥96%

Storage

Room temperature

Specifications

仕様と純度

≥96%

保管条件

Room temperature

純度

≥96%

名前と識別子

カノニカル・スマイル

CC(=CCCC(C)(C=C)OC(=O)C1=CC=CC=C1N)C

IUPAC Name

3,7-dimethylocta-1,6-dien-3-yl 2-aminobenzoate

InChIKey

WHIJSULEEDNKPD-UHFFFAOYSA-N

INCHI

1S/C17H23NO2/c1-5-17(4,12-8-9-13(2)3)20-16(19)14-10-6-7-11-15(14)18/h5-7,9-11H,1,8,12,18H2,2-4H3

分子量

273.370

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic monoterpenoids
• Alternative Parents: Monocyclic monoterpenoids Benzoic acid esters Aminobenzoic acids and derivatives Benzoyl derivatives Aniline and substituted anilines Vinylogous amides Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzoic acid or derivatives - Aromatic monoterpenoid - Benzoate ester - Monocyclic monoterpenoid - Benzoic acid or derivatives - Aniline or substituted anilines - Benzoyl - Benzenoid - Monocyclic benzene moiety - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Amine - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Primary amine - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.
• 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

化学的性質と物理的性質

• 分子量: 273.370 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 273.173 Da
• Monoisotopic Mass: 273.173 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 371.000
• 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