1H,1aH,6H,6aH-cyclopropa[a]inden-1-amine hydrochloride

• ChemBase ID: 239211
• Molecular Formular: C10H12ClN
• Molecular Mass: 181.66198
• Monoisotopic Mass: 181.06582707
• SMILES: C12C(C1N)Cc1c2cccc1.Cl
• Canonical SMILES: NC1C2C1c1c(C2)cccc1.Cl
• InChI: InChI=1S/C10H11N.ClH/c11-10-8-5-6-3-1-2-4-7(6)9(8)10;/h1-4,8-10H,5,11H2;1H
• InChIKey: WGFSSSLTLSNEQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H,1aH,6H,6aH-cyclopropa[a]inden-1-amine hydrochloride
• IUPAC Traditional name: 1H,1aH,6H,6aH-cyclopropa[a]inden-1-amine hydrochloride
• Synonyms: 1H,1aH,6H,6aH-cyclopropa[a]inden-1-amine hydrochloride

Database IDs

• MDL Number: MFCD22378692
• PubChem SID: 164295121
• PubChem CID: 71756348

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6908089
• LogD (pH = 7.4): -0.8608828
• Log P: 1.3089821
• Molar Refractivity: 44.8062 cm^3
• Polarizability: 17.637356 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 183 - 185°C
• Hydrophobicity(logP): 1.303

Product Information

• Purity: 95%