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

• ChemBase ID: 254713
• Molecular Formular: C11H15N
• Molecular Mass: 161.2435
• Monoisotopic Mass: 161.12044949
• SMILES: c12c(CCCC1CN)cccc2
• Canonical SMILES: NCC1CCCc2c1cccc2
• InChI: InChI=1S/C11H15N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-2,4,7,10H,3,5-6,8,12H2
• InChIKey: FSEUPTSLGGJFNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrahydronaphthalen-1-ylmethanamine
• IUPAC Traditional name: 1,2,3,4-tetrahydronaphthalen-1-ylmethanamine
• Synonyms: 1,2,3,4-tetrahydronaphthalen-1-ylmethylamine

Database IDs

• CAS Number: 91245-72-6
• MDL Number: MFCD02179233
• PubChem SID: 164310623
• PubChem CID: 11298132

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.763606
• LogD (pH = 7.4): -0.06800759
• Log P: 2.2469125
• Molar Refractivity: 51.598 cm^3
• Polarizability: 20.228636 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 256 - 258°C
• Hydrophobicity(logP): 2.496

Product Information

• Purity: 95%