2-(2,5-Dimethylphenoxy)-N-ethylethanamine , CAS No.915921-73-2

CAS: 915921-73-2 Cat. No.: D994975 분자식: C₁₂H₁₉NO 분자량: 193.280

Storage

Room temperature

사양

보관 조건

Room temperature

이름과 식별자

정식 스마일

CCNCCOC1=C(C=CC(=C1)C)C

IUPAC Name

2-(2,5-dimethylphenoxy)-N-ethylethanamine

InChIKey

SRPIWXXAJVWAJS-UHFFFAOYSA-N

INCHI

1S/C12H19NO/c1-4-13-7-8-14-12-9-10(2)5-6-11(12)3/h5-6,9,13H,4,7-8H2,1-3H3

분자량

193.280

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: p-Xylenes Phenoxy compounds Alkyl aryl ethers Dialkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenol ether - Xylene - P-xylene - Phenoxy compound - Alkyl aryl ether - Monocyclic benzene moiety - Secondary amine - Ether - Secondary aliphatic amine - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene 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

화학 및 물리적 특성

• 분자량: 193.280 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 193.147 Da
• Monoisotopic Mass: 193.147 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 149.000
• 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

자주 묻는 질문

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

The CAS Number is 915921-73-2, the molecular formula is C12H19NO, and the molecular weight is 193.280 g/mol. InChIKey SRPIWXXAJVWAJS-UHFFFAOYSA-N.