(4aR,8aR)-decahydroquinoline

• ChemBase ID: 243491
• Molecular Formular: C9H17N
• Molecular Mass: 139.23798
• Monoisotopic Mass: 139.13609955
• SMILES: N1[C@H]2[C@@H](CCC1)CCCC2
• Canonical SMILES: C1CC[C@H]2[C@@H](C1)NCCC2
• InChI: InChI=1S/C9H17N/c1-2-6-9-8(4-1)5-3-7-10-9/h8-10H,1-7H2/t8-,9-/m1/s1
• InChIKey: POTIYWUALSJREP-RKDXNWHRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4aR,8aR)-decahydroquinoline
• IUPAC Traditional name: (4aR,8aR)-decahydroquinoline
• Synonyms: (4aR,8aR)-decahydroquinoline

Database IDs

• MDL Number: MFCD13176524
• PubChem SID: 164299401
• PubChem CID: 66313

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2944756
• LogD (pH = 7.4): -1.0104389
• Log P: 1.9424007
• Molar Refractivity: 43.0486 cm^3
• Polarizability: 17.397926 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.367

Product Information

• Purity: 95%