1,2,3,4-tetrahydroquinolin-6-ylmethanamine

• ChemBase ID: 272200
• Molecular Formular: C10H14N2
• Molecular Mass: 162.23156
• Monoisotopic Mass: 162.11569846
• SMILES: c12c(cc(cc2)CN)CCCN1
• Canonical SMILES: NCc1ccc2c(c1)CCCN2
• InChI: InChI=1S/C10H14N2/c11-7-8-3-4-10-9(6-8)2-1-5-12-10/h3-4,6,12H,1-2,5,7,11H2
• InChIKey: PVBQLBGOQLWTCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrahydroquinolin-6-ylmethanamine
• IUPAC Traditional name: 1,2,3,4-tetrahydroquinolin-6-ylmethanamine
• Synonyms: 1,2,3,4-tetrahydroquinolin-6-ylmethanamine

Database IDs

• MDL Number: MFCD12797010
• PubChem SID: 164328110
• PubChem CID: 50989748

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.9995049
• LogD (pH = 7.4): -1.139227
• Log P: 1.0562495
• Molar Refractivity: 52.6358 cm^3
• Polarizability: 19.57325 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.137

Product Information

• Purity: 95%