1,2,3,4-tetrahydroquinolin-5-ylmethanamine dihydrochloride

• ChemBase ID: 253558
• Molecular Formular: C10H16Cl2N2
• Molecular Mass: 235.15344
• Monoisotopic Mass: 234.06905388
• SMILES: c12c(NCCC2)cccc1CN.Cl.Cl
• Canonical SMILES: NCc1cccc2c1CCCN2.Cl.Cl
• InChI: InChI=1S/C10H14N2.2ClH/c11-7-8-3-1-5-10-9(8)4-2-6-12-10;;/h1,3,5,12H,2,4,6-7,11H2;2*1H
• InChIKey: YIWBISSLFSBRJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrahydroquinolin-5-ylmethanamine dihydrochloride
• IUPAC Traditional name: 1,2,3,4-tetrahydroquinolin-5-ylmethanamine dihydrochloride
• Synonyms: 1,2,3,4-tetrahydroquinolin-5-ylmethylamine dihydrochloride

Database IDs

• MDL Number: MFCD10686661
• PubChem SID: 164309468
• PubChem CID: 43810457

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.9817986
• LogD (pH = 7.4): -1.0988816
• Log P: 1.0562495
• Molar Refractivity: 52.6358 cm^3
• Polarizability: 19.573498 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%
• Salt Data: 2HCl