3-(Dimethylamino)-2-(4-methylphenyl)acrylaldehyde

• Catalog Number: ACMA00001018
• Category: Amines
• Molecular Weight: 189.25
• Molecular Formula: C₁₂H₁₄N₂O
• Hazard Statements: H302
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C12H15NO.

What is the molecular weight of the compound?

The molecular weight is 189.25 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is (Z)-3-(dimethylamino)-2-(4-methylphenyl)prop-2-enal.

What is the InChI of the compound?

The InChI is InChI=1S/C12H15NO/c1-10-4-6-11(7-5-10)12(9-14)8-13(2)3/h4-9H,1-3H3/b12-8+.

What is the InChIKey of the compound?

The InChIKey is HCAFJKINDHGUDS-XYOKQWHBSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CC1=CC=C(C=C1)C(=CN(C)C)C=O.

What is the isomeric SMILES of the compound?

The isomeric SMILES is CC1=CC=C(C=C1)/C(=C/N(C)C)/C=O.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 2.1.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

How many rotatable bond counts does the compound have?

The compound has 3 rotatable bond counts.