5-chloronaphthalen-1-amine

• ChemBase ID: 286860
• Molecular Formular: C10H8ClN
• Molecular Mass: 177.63022
• Monoisotopic Mass: 177.03452694
• SMILES: Nc1c2cccc(Cl)c2ccc1
• Canonical SMILES: Nc1cccc2c1cccc2Cl
• InChI: InChI=1S/C10H8ClN/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h1-6H,12H2
• InChIKey: JRFLIJXBMJNZQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloronaphthalen-1-amine
• IUPAC Traditional name: 5-chloronaphthalen-1-amine
• Synonyms: 5-Chloronaphthalen-1-amine

Database IDs

• CAS Number: 2750-80-3
• MDL Number: MFCD01026464
• PubChem SID: 180672391
• PubChem CID: 4455053

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7317598
• LogD (pH = 7.4): 2.7377641
• Log P: 2.7378414
• Molar Refractivity: 52.0134 cm^3
• Polarizability: 20.878996 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%