N-(2-phenylcyclopentyl)-1-azacyclotridec-1-en-2-amine hydrochloride

• ChemBase ID: 106039
• Molecular Formular: C23H37ClN2
• Molecular Mass: 377.00628
• Monoisotopic Mass: 376.26452687
• SMILES: Cl.C1CCCCC/N=C(/CCCCC1)\NC1CCCC1c1ccccc1
• Canonical SMILES: C1CCCCC/N=C(/CCCCC1)\NC1CCCC1c1ccccc1.Cl
• InChI: InChI=1S/C23H36N2.ClH/c1-2-4-6-11-18-23(24-19-12-7-5-3-1)25-22-17-13-16-21(22)20-14-9-8-10-15-20;/h8-10,14-15,21-22H,1-7,11-13,16-19H2,(H,24,25);1H
• InChIKey: CKOPQUCSDBVAQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-phenylcyclopentyl)-1-azacyclotridec-1-en-2-amine hydrochloride
• IUPAC Traditional name: N-(2-phenylcyclopentyl)-1-azacyclotridec-1-en-2-amine hydrochloride
• Synonyms: MDL-12330A; cis-N-(2-PHENYLCYCLOPENTYL)AZACYCLOTRIDEC-1-EN-2-AMINE HYDROCHLORIDE

Database IDs

• CAS Number: 40297-09-4
• PubChem SID: 162087664
• PubChem CID: 9929600

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.762645
• LogD (pH = 7.4): 3.7816348
• Log P: 6.1778564
• Molar Refractivity: 106.9995 cm^3
• Polarizability: 42.022705 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: 2-8°C

Product Information

• Purity: ≥98%

DETAILS

MP Biomedicals - 02196047

Hydrochloride
Purity: >98%
Inhibits adenylate cyclase.

REFERENCES

• Ferretti, M.E., et al., Neurosci. Lett. , 207(3) : 191-194 (1996).