1-tert-butylnaphthalen-2-amine

• ChemBase ID: 65905
• Molecular Formular: C14H17N
• Molecular Mass: 199.29148
• Monoisotopic Mass: 199.13609955
• SMILES: c1ccc2c(c1)c(c(cc2)N)C(C)(C)C
• Canonical SMILES: Nc1ccc2c(c1C(C)(C)C)cccc2
• InChI: InChI=1S/C14H17N/c1-14(2,3)13-11-7-5-4-6-10(11)8-9-12(13)15/h4-9H,15H2,1-3H3
• InChIKey: SETIVQDQMWTAMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-tert-butylnaphthalen-2-amine
• IUPAC Traditional name: 1-tert-butylnaphthalen-2-amine
• Synonyms: 1-tert-Butylnaphthalen-2-amine

Database IDs

• CAS Number: 389104-55-6
• MDL Number: MFCD05260577
• PubChem SID: 162031644
• PubChem CID: 22167106

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.6674945
• LogD (pH = 7.4): 3.678708
• Log P: 3.6788528
• Molar Refractivity: 65.8745 cm^3
• Polarizability: 26.420618 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%