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

• ChemBase ID: 240696
• Molecular Formular: C12H16ClN
• Molecular Mass: 209.71514
• Monoisotopic Mass: 209.0971272
• SMILES: C12C(C1CN)CCc1c2cccc1.Cl
• Canonical SMILES: NCC1C2C1c1ccccc1CC2.Cl
• InChI: InChI=1S/C12H15N.ClH/c13-7-11-10-6-5-8-3-1-2-4-9(8)12(10)11;/h1-4,10-12H,5-7,13H2;1H
• InChIKey: NTXOHAXREVLTEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22392198
• PubChem SID: 164296606
• PubChem CID: 71756608

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1072501
• LogD (pH = 7.4): -0.58290195
• Log P: 1.9126561
• Molar Refractivity: 54.292 cm^3
• Polarizability: 21.332245 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.101

Product Information

• Purity: 95%