acridin-9-amine hydrochloride

• ChemBase ID: 105897
• Molecular Formular: C13H11ClN2
• Molecular Mass: 230.69284
• Monoisotopic Mass: 230.06107604
• SMILES: Cl.Nc1c2ccccc2nc2ccccc12
• Canonical SMILES: Nc1c2ccccc2nc2c1cccc2.Cl
• InChI: InChI=1S/C13H10N2.ClH/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;/h1-8H,(H2,14,15);1H
• InChIKey: FTGPOQQGJVJDCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: acridin-9-amine hydrochloride
• IUPAC Traditional name: 9-aminoacridine hydrochloride
• Synonyms: Aminacrine; 9-AMINOACRIDINE HYDROCHLORIDE; acridin-9-amine hydrochloride

Database IDs

• CAS Number: 134-50-9; 52417-22-8
• EC Number: 205-145-5
• MDL Number: MFCD00012663
• PubChem SID: 162087191
• PubChem CID: 8643

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

• Melting Point: 300°C
• Hydrophobicity(logP): 3.086

Safety Information

• Storage Condition: 2-8°C
• RTECS: AR6850000; AR7350000
• European Hazard Symbols: Toxic (T); Harmful (Xn)
• UN Number: 2811
• Hazard Class: 6.1
• Packing Group: III
• Australian Hazchem: 2X
• Risk Statements: R:22; R:25
• Safety Statements: S:28-36/37/39-45-53; S:36/37/39
• EU Classification: T2
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 154

Product Information

• Purity: 95%

DETAILS

MP Biomedicals - 02195035

Hydrochloride Hydrate
Mutagen; DNA modifier

REFERENCES

• J. Mol. Biol. , 50 : 263, (1970)
• J. Biol. Chem. , 257 : 3014, (1982)