1,2,3,4-tetrahydroquinolin-1-amine

• ChemBase ID: 24751
• Molecular Formular: C9H12N2
• Molecular Mass: 148.20498
• Monoisotopic Mass: 148.10004839
• SMILES: N1(c2c(CCC1)cccc2)N
• Canonical SMILES: NN1CCCc2c1cccc2
• InChI: InChI=1S/C9H12N2/c10-11-7-3-5-8-4-1-2-6-9(8)11/h1-2,4,6H,3,5,7,10H2
• InChIKey: OQMROOTVLOXIJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrahydroquinolin-1-amine
• IUPAC Traditional name: 3,4-dihydro-2H-quinolin-1-amine
• Synonyms: 3,4-Dihydroquinolin-1(2H)-amine

Database IDs

• MDL Number: MFCD02656551
• PubChem SID: 160988058
• PubChem CID: 6423314

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3716091
• LogD (pH = 7.4): 1.883595
• Log P: 1.8962618
• Molar Refractivity: 57.4806 cm^3
• Polarizability: 17.623735 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false