7-chloro-1,2,3,4-tetrahydronaphthalen-1-amine

• ChemBase ID: 808661
• Molecular Formular: C10H12ClN
• Molecular Mass: 181.66198
• Monoisotopic Mass: 181.06582707
• SMILES: NC1c2cc(ccc2CCC1)Cl
• Canonical SMILES: Clc1ccc2c(c1)C(N)CCC2
• InChI: InChI=1S/C10H12ClN/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6,10H,1-3,12H2
• InChIKey: JKGNIZNLBBLURY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-1,2,3,4-tetrahydronaphthalen-1-amine
• IUPAC Traditional name: 7-chloro-1,2,3,4-tetrahydronaphthalen-1-amine
• Synonyms: 7-CHLORO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YLAMINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.30845684
• LogD (pH = 7.4): 0.5159347
• Log P: 2.6918519
• Molar Refractivity: 51.518 cm^3
• Polarizability: 20.268402 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%