1,2,3,4-tetrahydronaphthalen-2-ylmethanamine

• ChemBase ID: 246883
• Molecular Formular: C11H15N
• Molecular Mass: 161.2435
• Monoisotopic Mass: 161.12044949
• SMILES: c12c(CCC(C1)CN)cccc2
• Canonical SMILES: NCC1CCc2c(C1)cccc2
• InChI: InChI=1S/C11H15N/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-4,9H,5-8,12H2
• InChIKey: WKQAFPKAFXIRCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrahydronaphthalen-2-ylmethanamine; (1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
• IUPAC Traditional name: 1,2,3,4-tetrahydronaphthalen-2-ylmethanamine
• Synonyms: 1,2,3,4-tetrahydronaphthalen-2-ylmethanamine; C-(1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YL)-METHYLAMINE

Database IDs

• CAS Number: 129280-17-7
• MDL Number: MFCD06738958
• PubChem SID: 164302793
• PubChem CID: 15718632

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.77349746
• LogD (pH = 7.4): -0.2607157
• Log P: 2.2469125
• Molar Refractivity: 51.598 cm^3
• Polarizability: 20.230215 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.346

Product Information

• Purity: 95%; 98%