1,4-bis[(2-ethylhexyl)amino]anthraquinone

• CAS: 29887-08-9
• Catalog Number: ACM29887089
• Category: Solvent Dyes
• Molecular Weight: 462.6667
• Molecular Formula: C₃₀H₄₂N₂O₂
• Synonyms: 1,4-bis[(2-Ethylhexyl)amino]anthraquinone;Solvent Blue 58
• IUPAC Name: 1,4-bis(2-ethylhexylamino)anthracene-9,10-dione
• Canonical SMILES: CCCCC(CC)CNC1=C2C(=C(C=C1)NCC(CC)CCCC)C(=O)C3=CC=CC=C3C2=O
• InChI Key: ULYAQFDBACQQGC-UHFFFAOYSA-N
• Boiling Point: 632ºC at 760mmHg
• Flash Point: 154.9ºC
• Density: 1.076g/cm³
• EC Number: 249-931-6
• Exact Mass: 462.32500
• H-Bond Acceptor: 4
• H-Bond Donor: 2

Custom Q&A

What is the molecular formula of 1,4-bis[(2-ethylhexyl)amino]anthraquinone?

The molecular formula is C30H42N2O2.

What is the molecular weight of 1,4-bis[(2-ethylhexyl)amino]anthraquinone?

The molecular weight is 462.7 g/mol.

What is the IUPAC name of 1,4-bis[(2-ethylhexyl)amino]anthraquinone?

The IUPAC name is 1,4-bis(2-ethylhexylamino)anthracene-9,10-dione.

What is the InChIKey of 1,4-bis[(2-ethylhexyl)amino]anthraquinone?

The InChIKey is ULYAQFDBACQQGC-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 1,4-bis[(2-ethylhexyl)amino]anthraquinone have?

It has 2 hydrogen bond donor counts.

What is the XLogP3-AA value of 1,4-bis[(2-ethylhexyl)amino]anthraquinone?

The XLogP3-AA value is 10.2.

How many rotatable bond counts does 1,4-bis[(2-ethylhexyl)amino]anthraquinone have?

It has 14 rotatable bond counts.

What is the topological polar surface area of 1,4-bis[(2-ethylhexyl)amino]anthraquinone?

The topological polar surface area is 58.2 Å2.

How many heavy atom counts does 1,4-bis[(2-ethylhexyl)amino]anthraquinone have?

It has 34 heavy atom counts.

How many undefined atom stereocenter counts does 1,4-bis[(2-ethylhexyl)amino]anthraquinone have?

It has 2 undefined atom stereocenter counts.