Phenanthridine

• Catalog Number: ACM229878
• Product Name: Phenanthridine
• CAS: 229-87-8
• Category: Organic & Printed Electronics
• Description: Phenanthridine appears as crystalline needles. Mutagenic.
• Synonyms: Benzo[c]quinoline
• IUPAC Name: phenanthridine
• Molecular Weight: 179.22
• Molecular Formula: C13H9N
• Canonical SMILES: c1ccc2c(c1)cnc3ccccc23
• InChI: 1S/C13H9N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-9H,RDOWQLZANAYVLL-UHFFFAOYSA-N
• InChI Key: RDOWQLZANAYVLL-UHFFFAOYSA-N
• Boiling Point: 349 °C/769 mmHg (lit.)
• Melting Point: 104-107 °C (lit.)
• Solubility: 0.00 M;7.7 [ug/mL]
• Storage: room temp
• Assay: ≥99%
• Complexity: 201
• Covalently-Bonded Unit Count: 1
• EC Number: 205-934-4
• Exact Mass: 179.073499g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 14
• LogP: 3.48 (LogP)
• MDL Number: MFCD00004989
• Monoisotopic Mass: 179.073499g/mol
• NSC Number: 73482
• Quality Level: 100
• Rotatable Bond Count: 0
• UNII: 62QGS7CPS6
• UN Number: 2811
• Vapor Pressure: 2.08e-05 mmHg
• XLogP3: 3.5

Custom Q&A

What is the molecular formula of phenanthridine?

The molecular formula of phenanthridine is C13H9N.

What is the molecular weight of phenanthridine?

The molecular weight of phenanthridine is 179.22 g/mol.

What is the IUPAC name of phenanthridine?

The IUPAC name of phenanthridine is phenanthridine.

What is the InChI key of phenanthridine?

The InChI key of phenanthridine is RDOWQLZANAYVLL-UHFFFAOYSA-N.

What is the Canonical SMILES of phenanthridine?

The Canonical SMILES of phenanthridine is C1=CC=C2C(=C1)C=NC3=CC=CC=C23.

What is the CAS number of phenanthridine?

The CAS number of phenanthridine is 229-87-8.

What is the UNII number of phenanthridine?

The UNII number of phenanthridine is 62QGS7CPS6.

What is the ChEMBL ID of phenanthridine?

The ChEMBL ID of phenanthridine is CHEMBL504941.

How many hydrogen bond acceptors does phenanthridine have?

Phenanthridine has 1 hydrogen bond acceptor.