2,3-dihydrospiro[indene-1,4'-piperidine] hydrochloride

• ChemBase ID: 51296
• Molecular Formular: C13H18ClN
• Molecular Mass: 223.74172
• Monoisotopic Mass: 223.11277726
• SMILES: C12(c3c(CC1)cccc3)CCNCC2.Cl
• Canonical SMILES: N1CCC2(CC1)CCc1c2cccc1.Cl
• InChI: InChI=1S/C13H17N.ClH/c1-2-4-12-11(3-1)5-6-13(12)7-9-14-10-8-13;/h1-4,14H,5-10H2;1H
• InChIKey: ALQOOMOOZAZVBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydrospiro[indene-1,4'-piperidine] hydrochloride
• IUPAC Traditional name: 2,3-dihydrospiro[indene-1,4'-piperidine] hydrochloride
• Synonyms: 4-Spiroindane-piperidine hydrochloride

Database IDs

• CAS Number: 96651-85-3
• MDL Number: MFCD08461061
• PubChem SID: 162056059
• PubChem CID: 22509327

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.79279625
• LogD (pH = 7.4): -0.11853773
• Log P: 2.4280534
• Molar Refractivity: 59.1931 cm^3
• Polarizability: 23.178427 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

Product Information

• Purity: >95%