1-azaspiro[4.4]non-7-ene hydrochloride

• ChemBase ID: 55149
• Molecular Formular: C8H14ClN
• Molecular Mass: 159.65646
• Monoisotopic Mass: 159.08147713
• SMILES: C12(CC=CC1)NCCC2.Cl
• Canonical SMILES: C1CNC2(C1)CC=CC2.Cl
• InChI: InChI=1S/C8H13N.ClH/c1-2-5-8(4-1)6-3-7-9-8;/h1-2,9H,3-7H2;1H
• InChIKey: XWTKZQXSJYMYKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-azaspiro[4.4]non-7-ene hydrochloride
• IUPAC Traditional name: 1-azaspiro[4.4]non-7-ene hydrochloride
• Synonyms: 1-Azaspiro[4.4]non-7-ene hydrochloride

Database IDs

• MDL Number: MFCD13248665
• PubChem SID: 162059912
• PubChem CID: 56773489

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.1116178
• LogD (pH = 7.4): -2.0438802
• Log P: 1.129468
• Molar Refractivity: 39.6538 cm^3
• Polarizability: 15.31781 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false