(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)methanamine

• ChemBase ID: 101151
• Molecular Formular: C15H23N
• Molecular Mass: 217.34982
• Monoisotopic Mass: 217.18304974
• SMILES: c12c(C(CCC1(C)C)(C)C)ccc(c2)CN
• Canonical SMILES: NCc1ccc2c(c1)C(C)(C)CCC2(C)C
• InChI: InChI=1S/C15H23N/c1-14(2)7-8-15(3,4)13-9-11(10-16)5-6-12(13)14/h5-6,9H,7-8,10,16H2,1-4H3
• InChIKey: GVSNYOXKXQRGRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
• IUPAC Traditional name: (5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanamine
• Synonyms: (5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth-2-yl)methylamine

Database IDs

• CAS Number: 148749-58-0
• MDL Number: MFCD09966143
• PubChem SID: 162087251
• PubChem CID: 20647212

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.73248005
• LogD (pH = 7.4): 1.6292478
• Log P: 3.725401
• Molar Refractivity: 70.061 cm^3
• Polarizability: 27.61018 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%