3-[3-(Dimethylamino)propoxy]benzaldehyde

• Catalog Number: ACMA00002238
• Category: Ethers
• Molecular Weight: 207.27
• Molecular Formula: C₁₂H₁₆O₃
• Hazard Statements: H317-H319
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C12H17NO2.

What is the molecular weight of the compound?

The molecular weight is 207.27 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 3-[3-(dimethylamino)propoxy]benzaldehyde.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C12H17NO2/c1-13(2)7-4-8-15-12-6-3-5-11(9-12)10-14/h3,5-6,9-10H,4,7-8H2,1-2H3.

What is the InChIKey of the compound?

The InChIKey of the compound is CMVPGTWBRBJOQR-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CN(C)CCCOC1=CC=CC(=C1)C=O.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 1.8.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 3 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 6 rotatable bond counts.