spiro[2.5]octan-1-amine hydrochloride

• ChemBase ID: 246315
• Molecular Formular: C8H16ClN
• Molecular Mass: 161.67234
• Monoisotopic Mass: 161.0971272
• SMILES: C12(C(C1)N)CCCCC2.Cl
• Canonical SMILES: NC1CC21CCCCC2.Cl
• InChI: InChI=1S/C8H15N.ClH/c9-7-6-8(7)4-2-1-3-5-8;/h7H,1-6,9H2;1H
• InChIKey: FKSJDWYAZDHIPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: spiro[2.5]octan-1-amine hydrochloride
• IUPAC Traditional name: spiro[2.5]octan-1-amine hydrochloride
• Synonyms: spiro[2.5]octan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD23144279
• PubChem SID: 164302225
• PubChem CID: 71757951

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5527163
• LogD (pH = 7.4): -0.79208297
• Log P: 1.4530594
• Molar Refractivity: 38.0005 cm^3
• Polarizability: 15.551486 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 171 - 173°C
• Hydrophobicity(logP): 1.911

Product Information

• Purity: 95%