(1S)-spiro[4.4]nonane-1,6-diamine

• ChemBase ID: 282813
• Molecular Formular: C9H18N2
• Molecular Mass: 154.25262
• Monoisotopic Mass: 154.14699859
• SMILES: [C@]12(C(N)CCC1)[C@@H](N)CCC2
• Canonical SMILES: NC1CCC[C@@]21CCC[C@@H]2N
• InChI: InChI=1S/C9H18N2/c10-7-3-1-5-9(7)6-2-4-8(9)11/h7-8H,1-6,10-11H2/t7-,8?,9-/m0/s1
• InChIKey: BNILUWOCEPQBHS-SMOXQLQSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-spiro[4.4]nonane-1,6-diamine
• IUPAC Traditional name: (1S)-spiro[4.4]nonane-1,6-diamine
• Synonyms: (1S)-spiro[4.4]nonane-1,6-diamine

Database IDs

• PubChem SID: 180668344
• PubChem CID: 54595530

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.2742877
• LogD (pH = 7.4): -3.4849596
• Log P: 0.5599352
• Molar Refractivity: 45.7745 cm^3
• Polarizability: 18.918522 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.253

Product Information

• Purity: 95%