Trixolane , CAS No.47420-28-0

CAS: 47420-28-0 Cat. No.: T1265533 PubChem CID: 3047750

Storage

Room temperature

Shipped In

Normal

Specifications

보관 조건

Room temperature

배송

Normal

이름과 식별자

• 정식 스마일: CC1(OCC(O1)CN2CCOCC2)C3=CC(=C(C(=C3)OC)OC)OC
• IUPAC Name: 4-[[2-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-dioxolan-4-yl]methyl]morpholine
• InChIKey: ZIOBPMQEBOCFLH-UHFFFAOYSA-N
• INCHI: 1S/C18H27NO6/c1-18(13-9-15(20-2)17(22-4)16(10-13)21-3)24-12-14(25-18)11-19-5-7-23-8-6-19/h9-10,14H,5-8,11-12H2,1-4H3
• 이성체 SMILES: CC1(OCC(O1)CN2CCOCC2)C3=CC(=C(C(=C3)OC)OC)OC
• 대체 CAS: 47420-28-0
• PubChem CID: 3047750

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Ketals Alkyl aryl ethers Morpholines 1,3-dioxolanes Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Ketal - Monocyclic benzene moiety - Morpholine - Oxazinane - Meta-dioxolane - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Organoheterocyclic compound - Azacycle - Dialkyl ether - Acetal - Ether - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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: 353.400 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 353.184 Da
• Monoisotopic Mass: 353.184 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 404.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• 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

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 47420-28-0. InChIKey ZIOBPMQEBOCFLH-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.