4-((Isopropylamino)methyl)benzoic acid

• CAS: 70714-73-7
• Catalog Number: ACM70714737
• Category: Amines
• Molecular Weight: 193.24
• Molecular Formula: C₁₁H₁₅N
• Hazard Statements: H302
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 4-((Isopropylamino)methyl)benzoic acid?

The molecular formula is C11H15NO2.

What is the molecular weight of the compound?

The molecular weight is 193.24 g/mol.

What is the CAS number of the compound?

The CAS number is 96084-40-1.

What is the IUPAC name of the compound?

The IUPAC name is 4-[(propan-2-ylamino)methyl]benzoic acid.

What is the InChI of the compound?

The InChI is InChI=1S/C11H15NO2/c1-8(2)12-7-9-3-5-10(6-4-9)11(13)14/h3-6,8,12H,7H2,1-2H3,(H,13,14).

What is the InChIKey of the compound?

The InChIKey is VTPDRIAWGUXLMR-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CC(C)NCC1=CC=C(C=C1)C(=O)O.

How many hydrogen bond donor count does the compound have?

The compound has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor count does the compound have?

The compound has 3 hydrogen bond acceptor counts.

How many rotatable bond count does the compound have?

The compound has 4 rotatable bond counts.