1-(2-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-amine

• ChemBase ID: 798126
• Molecular Formular: C20H24N2
• Molecular Mass: 292.41796
• Monoisotopic Mass: 292.19394878
• SMILES: C1Cc2c(CC1)ccc(c2c1c2CCCCc2ccc1N)N
• Canonical SMILES: Nc1ccc2c(c1c1c(N)ccc3c1CCCC3)CCCC2
• InChI: InChI=1S/C20H24N2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h9-12H,1-8,21-22H2
• InChIKey: ISTHXJXFQJFWNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-amine
• IUPAC Traditional name: 1-(2-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-amine
• Synonyms: (r)-5,5',6,6',7,7',8,8'-octahydro-(1,1'-biNaphthalene)-2,2'-diamine; (s)-5,5',6,6',7,7',8,8'-octahydro-(1,1'-biNaphthalene)-2,2'-diamine

Database IDs

• CAS Number: 229177-78-0; 208248-66-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 4.7906146
• LogD (pH = 7.4): 4.8660874
• Log P: 4.867128
• Molar Refractivity: 95.5594 cm^3
• Polarizability: 36.619125 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%