9-Aminoacridine

• CAS: 90-45-9
• Catalog Number: ACM90459
• Category: Inhibitors
• Molecular Weight: 194.23g/mol
• Molecular Formula: C13H10N2
• Description: 9-aminoacridine appears as yellow needles. Free soluble in alcohol.
• Synonyms: 9-Acridinylamine;9-Aminoacridine;9-Aminoacridine free base
• IUPAC Name: acridin-9-amine
• SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N
• InChI: InChI=1S/C13H10N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,(H2,14,15)
• InChI Key: XJGFWWJLMVZSIG-UHFFFAOYSA-N
• Melting Point: 466 °F (NTP, 1992);241.0 °C
• Solubility: less than 1 mg/mL at 68° F (NTP, 1992)
• Appearance: Yellow needles. Free soluble in alcohol.
• Storage: 4°C, protect from light*In solvent : -80°C, 6 months; -20°C, 1 month (protect from light).
• Complexity: 207
• Covalently-Bonded Unit Count: 1
• EC Number: 201-995-6
• Exact Mass: 194.084398g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Heavy Atom Count: 15
• LogP: 2.74 (LogP)
• Monoisotopic Mass: 194.084398g/mol
• NSC Number: 757794;28747;13000
• Physical Description: 9-Aminoacridine hemihydrate 98% (1g)
• Rotatable Bond Count: 0
• Shipping: Can be shipped at room temperature, where not in use may vary.
• UNII: 78OY3Z0P7Z
• XLogP3: 2.8

Custom Q&A

What is the molecular formula of 9-Aminoacridine?

The molecular formula of 9-Aminoacridine is C13H10N2.

What is the molecular weight of 9-Aminoacridine?

The molecular weight of 9-Aminoacridine is 194.23 g/mol.

What are the synonyms of 9-Aminoacridine?

The synonyms of 9-Aminoacridine include Aminacrine, Acridin-9-amine, and 9-Acridinamine.

What is the IUPAC name of 9-Aminoacridine?

The IUPAC name of 9-Aminoacridine is acridin-9-amine.

What is the InChI of 9-Aminoacridine?

The InChI of 9-Aminoacridine is InChI=1S/C13H10N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,(H2,14,15).

What is the InChIKey of 9-Aminoacridine?

The InChIKey of 9-Aminoacridine is XJGFWWJLMVZSIG-UHFFFAOYSA-N.

What is the canonical SMILES of 9-Aminoacridine?

The canonical SMILES of 9-Aminoacridine is C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N.

What is the CAS number of 9-Aminoacridine?

The CAS number of 9-Aminoacridine is 90-45-9.

What is the Hydrogen Bond Donor Count of 9-Aminoacridine?

The Hydrogen Bond Donor Count of 9-Aminoacridine is 1.

What is the Hydrogen Bond Acceptor Count of 9-Aminoacridine?

The Hydrogen Bond Acceptor Count of 9-Aminoacridine is 2.

Synthetic Use

Downstream Synthesis Route 1

• 90-45-9
• 79-04-9

• 100954-63-0

Reference: [1]Ettel; Neumann
[Collection of Czechoslovak Chemical Communications, 1958, vol. 23, p. 1319]
[2]Hussein, Weiam; Saǧlik, Begüm Nurpelin; Levent, Serkan; Korkut, Büşra; Ilgin, Sinem; Özkay, Yusuf; Kaplancikli, Zafer Asim
[Molecules, 2018, vol. 23, # 8]

Downstream Synthesis Route 2

• 1207-69-8

• 110166-26-2

Reference: [1]Patent: CN108640873,2018,A .Location in patent: Paragraph 0022; 0023; 0024

Downstream Synthesis Route 3

• 110166-26-2

• 321-64-2
• 127842-43-7
• 114990-34-0
• 13415-07-1

Reference: [1]Sakanishi, Kinya; Mochida, Isao; Okazaki, Hiroshi; Soeda, Mahito
[Chemistry Letters, 1990, # 2, p. 319 - 322]

* For details of the synthesis route, please refer to the original source to ensure accuracy.