2-Amino-N-(2-propynyl)benzenecarboxamide

• Catalog Number: ACMA00000892
• Category: Amines
• Molecular Weight: 174.20
• Molecular Formula: C₁₀H₁₀F₃NO₂
• Hazard Statements: H318
• RIDADR: NONH for all modes of transport
• Symbol: GHS05

Custom Q&A

What is the molecular formula of 2-Amino-N-(2-propynyl)benzenecarboxamide?

The molecular formula is C10H10N2O.

What is the IUPAC name of the compound?

The IUPAC name is 2-amino-N-prop-2-ynylbenzamide.

What is the InChI of the compound?

The InChI is InChI=1S/C10H10N2O/c1-2-7-12-10(13)8-5-3-4-6-9(8)11/h1,3-6H,7,11H2,(H,12,13).

What is the InChIKey of the compound?

The InChIKey is PTBKEYHFNHZYAW-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES is C#CCNC(=O)C1=CC=CC=C1N.

What is the molecular weight of the compound?

The molecular weight is 174.20 g/mol.

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 2 hydrogen bond acceptor counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 55.1Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.