deramciclane - Moligand™ , CAS No.120444-71-5

CAS: 120444-71-5 Cat. No.: D609811 PubChem CID: 119590

GRADE & PURITY Moligand™

Synonyms

DB06512 | DTXSID10152862 | UNII-O5KFK61E74 | N,N-Dimethyl-2-(((1R,2S,4R)-2-phenyl-2-bornyl)oxy)ethylamine | Egyt 3886 | Ethanamine, N,N-dimethyl-2-(((1R,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo(2.2.1)hept-2-yl)oxy)- | MS-24348 | N,N-Dimethyl-2-(((1R,2S,4R)-

Storage

Room temperature

Specifications

Sinonimi

DB06512 | DTXSID10152862 | UNII-O5KFK61E74 | N,N-Dimethyl-2-(((1R,2S,4R)-2-phenyl-2-bornyl)oxy)ethylamine | Egyt 3886 | Ethanamine, N,N-dimethyl-2-(((1R,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo(2.2.1)hept-2-yl)oxy)- | MS-24348 | N,N-Dimethyl-2-(((1R,2S,4R)-

Specifiche e purezza

Moligand™

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Moligand™

Nomi e identificatori

• Sorrisi canonici: CC1(C2CCC1(C(C2)(C3=CC=CC=C3)OCCN(C)C)C)C
• IUPAC Name: N,N-dimethyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine
• InChIKey: QOBGWWQAMAPULA-RLLQIKCJSA-N
• INCHI: 1S/C20H31NO/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17-,19-,20+/m1/s1
• Isomeri SMILES: C[C@@]12CC[C@@H](C1(C)C)C[C@@]2(C3=CC=CC=C3)OCCN(C)C
• CAS alternativo: 120444-71-5
• PubChem CID: 119590
• Termini MeSH: 2-phenyl-2-(dimethylaminoethoxy)-1,7,7-trimethylbicyclo(2.2.1)heptane hemifumarate;deramciclane;deramciclane, (1R,2S,4R)-isomer;deramciclane, (endo-EGYT 3886)-isomer;EGIS 3886;EGIS-3886;EGIS3886;EGYT 3886;EGYT-3886;N,N-dimethyl-2-((1,7,7-trimethyl-2-pheny

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Bicyclic monoterpenoids
• Alternative Parents: Aromatic monoterpenoids Benzylethers Trialkylamines Dialkyl ethers Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Aromatic monoterpenoid - Bornane monoterpenoid - Bicyclic monoterpenoid - Benzylether - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Ether - Dialkyl ether - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
• 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 301.500 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 301.241 Da
• Monoisotopic Mass: 301.241 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 399.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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

Domande frequenti

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 120444-71-5. InChIKey QOBGWWQAMAPULA-RLLQIKCJSA-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.