4-Diethylaminomethyl-benzoic acid

• Catalog Number: ACMA00001004
• Category: Amines
• Molecular Weight: 207.27
• Molecular Formula: C₁₂H₁₇NO₂
• 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 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 4-(diethylaminomethyl)benzoic acid.

What is the InChI of the compound?

The InChI is InChI=1S/C12H17NO2/c1-3-13(4-2)9-10-5-7-11(8-6-10)12(14)15/h5-8H,3-4,9H2,1-2H3,(H,14,15).

What is the InChIKey of the compound?

The InChIKey is LXMSVTJNSQLXGX-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

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

What is the CAS number of the compound?

The CAS number is 62642-59-5.

What is the hydrogen bond donor count of the compound?

The hydrogen bond donor count is 1.

What is the hydrogen bond acceptor count of the compound?

The hydrogen bond acceptor count is 3.

Is the compound canonicalized?

Yes, the compound is canonicalized.