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

• ChemBase ID: 240459
• Molecular Formular: C11H14ClN
• Molecular Mass: 195.68856
• Monoisotopic Mass: 195.08147713
• SMILES: C12C(C1CN)Cc1c2cccc1.Cl
• Canonical SMILES: NCC1C2C1c1c(C2)cccc1.Cl
• InChI: InChI=1S/C11H13N.ClH/c12-6-10-9-5-7-3-1-2-4-8(7)11(9)10;/h1-4,9-11H,5-6,12H2;1H
• InChIKey: HQKMYZGORCQFFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22392149
• PubChem SID: 164296369
• PubChem CID: 71756559

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5518085
• LogD (pH = 7.4): -1.0272263
• Log P: 1.4680874
• Molar Refractivity: 49.691 cm^3
• Polarizability: 19.485111 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.542

Product Information

• Purity: 95%