Tricaine

C₉H₁₁NO₂ — CID 11400

About Tricaine

Tricaine (PubChem CID 11400) has the molecular formula C₉H₁₁NO₂ and a molecular weight of 165.19 g/mol. Its IUPAC name is ethyl 3-aminobenzoate.

Molecular Properties

• Compound Name: Tricaine
• PubChem CID: 11400
• Molecular Formula: C₉H₁₁NO₂
• Molecular Weight: 165.19 g/mol
• Exact Mass: 165.08
• IUPAC Name: ethyl 3-aminobenzoate
• SMILES: CCOC(=O)c1cccc(N)c1
• InChI: InChI=1S/C9H11NO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2,10H2,1H3
• InChIKey: ZMCBYSBVJIMENC-UHFFFAOYSA-N
• XLogP: 1.45
• TPSA: 52.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	165.19
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Tricaine?

The IUPAC name of Tricaine (CID 11400) is ethyl 3-aminobenzoate.

What is the SMILES notation for Tricaine?

The canonical SMILES for Tricaine is CCOC(=O)c1cccc(N)c1.

What is the InChIKey of Tricaine?

The InChIKey is ZMCBYSBVJIMENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2,10H2,1H3.

What are the key properties of Tricaine?

Tricaine has a molecular weight of 165.19 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Tricaine is sourced from PubChem (CID 11400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 11400 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 5637 — approved-drug record (CC BY-SA 4.0)

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