acridin-9-amine

• ChemBase ID: 103617
• Molecular Formular: C13H10N2
• Molecular Mass: 194.2319
• Monoisotopic Mass: 194.08439833
• SMILES: Nc1c2ccccc2nc2ccccc12
• Canonical SMILES: Nc1c2ccccc2nc2c1cccc2
• 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)
• InChIKey: XJGFWWJLMVZSIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: acridin-9-amine
• IUPAC Traditional name: 9-aminoacridine
• Synonyms: 9-Aminoacridine; Aminacrine; 9-AMINOACRIDINE; 9-AMINOACRIDINE (5-AMINOACRIDINE); acridin-9-amine hydrochloride hydrate; 10-Amino-5-azaanthracene; 9-Aminoacridine; 9AA; Aminacrin; Izoacridina; Monacrin; NSC 13000; NSC 28747; 9-Aminoacridine 9-Aminoacridine Aminoacrid; 9-氨基吖啶

Database IDs

• CAS Number: 52417-22-8; 90-45-9
• EC Number: 201-995-6
• MDL Number: MFCD00037839
• PubChem SID: 162102887
• PubChem CID: 7019
• ATC CODE: D08AA02
• CHEMBL: 43184
• Chemspider ID: 6752
• Unique Ingredient Identifier: 78OY3Z0P7Z
• Wikipedia Title: 9-Aminoacridine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9824973
• LogD (pH = 7.4): 1.1876088
• Log P: 2.6773016
• Molar Refractivity: 60.7579 cm^3
• Polarizability: 25.813725 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol
• Apperance: Crystalline yellow; Yellow Solid
• Melting Point: 241°C; 300°C (572°F)
• Partition Coefficient: 2.61

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: AR7300000
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 36/37/38; R:22
• Safety Statements: 26-36; S:36/37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Pharmacology Properties

• Target: Others

Product Information

• Purity: 95+%
• Salt Data: Free Base; HCl/H2O

DETAILS

MP Biomedicals - 02152462

Free Base
Crystalline

MP Biomedicals - 05213433

MP Biomedicals Rare Chemical collection

Toronto Research Chemicals - A190880

Acridine analog. DNA intercalating agent.

REFERENCES

• Hansch, C. et al.: Compr. Med. Chem. 2, 703 (1990)