3,7-Diisobutyl-3,7-dihydro-purine-2,6-dione

• Catalog Number: ACMA00001062
• Category: Amines
• Molecular Weight: 264.32
• Molecular Formula: C₁₃H₁₇NO₂
• Hazard Statements: H411
• RIDADR: NONH for all modes of transport
• Symbol: GHS09

Custom Q&A

What is the molecular formula of 3,7-Diisobutyl-3,7-dihydro-purine-2,6-dione?

The molecular formula is C13H20N4O2.

What is the molecular weight of 3,7-Diisobutyl-3,7-dihydro-purine-2,6-dione?

The molecular weight is 264.32 g/mol.

What is the IUPAC name of 3,7-Diisobutyl-3,7-dihydro-purine-2,6-dione?

The IUPAC name is 3,7-bis(2-methylpropyl)purine-2,6-dione.

What is the InChI of 3,7-Diisobutyl-3,7-dihydro-purine-2,6-dione?

The InChI is InChI=1S/C13H20N4O2/c1-8(2)5-16-7-14-11-10(16)12(18)15-13(19)17(11)6-9(3)4/h7-9H,5-6H2,1-4H3,(H,15,18,19).

What is the InChIKey of 3,7-Diisobutyl-3,7-dihydro-purine-2,6-dione?

The InChIKey is XKHVGGWQNAGVJF-UHFFFAOYSA-N.

How many hydrogen bond donor counts are there in 3,7-Diisobutyl-3,7-dihydro-purine-2,6-dione?

There is 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts are there in 3,7-Diisobutyl-3,7-dihydro-purine-2,6-dione?

There are 3 hydrogen bond acceptor counts.

What is the topological polar surface area of 3,7-Diisobutyl-3,7-dihydro-purine-2,6-dione?

The topological polar surface area is 67.2Ų.

How many rotatable bond counts are there in 3,7-Diisobutyl-3,7-dihydro-purine-2,6-dione?

There are 4 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.