3-(Dimethylamino)butanoic acid hydrochloride

• Catalog Number: ACMA00001342
• Category: Amines
• Molecular Weight: 167.63
• Molecular Formula: C₆H₁₃NO
• Hazard Statements: H302-H315-H319-H335
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C6H14ClNO2.

What is the molecular weight of the compound?

The molecular weight of the compound is 167.63 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 3-(dimethylamino)butanoic acid;hydrochloride.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C6H13NO2.ClH/c1-5(7(2)3)4-6(8)9;/h5H,4H2,1-3H3,(H,8,9);1H.

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC(CC(=O)O)N(C)C.Cl.

How many hydrogen bond donor counts does the compound have?

The compound has 2 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 3 rotatable bond counts.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 40.5Ų.