1H,1aH,2H,3H,7bH-cyclopropa[a]naphthalen-1-amine hydrochloride

• ChemBase ID: 240664
• Molecular Formular: C11H14ClN
• Molecular Mass: 195.68856
• Monoisotopic Mass: 195.08147713
• SMILES: C12C(C1N)CCc1c2cccc1.Cl
• Canonical SMILES: NC1C2C1c1ccccc1CC2.Cl
• InChI: InChI=1S/C11H13N.ClH/c12-11-9-6-5-7-3-1-2-4-8(7)10(9)11;/h1-4,9-11H,5-6,12H2;1H
• InChIKey: NEIGFCDGQDETTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H,1aH,2H,3H,7bH-cyclopropa[a]naphthalen-1-amine hydrochloride
• IUPAC Traditional name: 1H,1aH,2H,3H,7bH-cyclopropa[a]naphthalen-1-amine hydrochloride
• Synonyms: 1H,1aH,2H,3H,7bH-cyclopropa[a]naphthalen-1-amine hydrochloride

Database IDs

• MDL Number: MFCD22421779
• PubChem SID: 164296574
• PubChem CID: 71756603

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2470545
• LogD (pH = 7.4): -0.42586946
• Log P: 1.7535508
• Molar Refractivity: 49.4072 cm^3
• Polarizability: 19.484526 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 205 - 207°C
• Hydrophobicity(logP): 1.862

Product Information

• Purity: 95%