9-chloro-1,2,3,4-tetrahydroacridine

• ChemBase ID: 34884
• Molecular Formular: C13H12ClN
• Molecular Mass: 217.69408
• Monoisotopic Mass: 217.06582707
• SMILES: n1c2c(c(c3c1cccc3)Cl)CCCC2
• Canonical SMILES: Clc1c2CCCCc2nc2c1cccc2
• InChI: InChI=1S/C13H12ClN/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2
• InChIKey: IYPJWKLHPNECFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-chloro-1,2,3,4-tetrahydroacridine
• IUPAC Traditional name: 9-chloro-1,2,3,4-tetrahydroacridine
• Synonyms: 9-Chloro-1,2,3,4-tetrahydroacridine

Database IDs

• CAS Number: 5396-30-5
• MDL Number: MFCD00065216
• PubChem SID: 160998191
• PubChem CID: 21495

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.0396643
• LogD (pH = 7.4): 4.060838
• Log P: 4.0611153
• Molar Refractivity: 61.8425 cm^3
• Polarizability: 25.323215 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%