4-(2-aminocyclopropyl)-N,N-dimethylaniline dihydrochloride

• ChemBase ID: 272158
• Molecular Formular: C11H18Cl2N2
• Molecular Mass: 249.18002
• Monoisotopic Mass: 248.08470395
• SMILES: C1(CC1N)c1ccc(N(C)C)cc1.Cl.Cl
• Canonical SMILES: NC1CC1c1ccc(cc1)N(C)C.Cl.Cl
• InChI: InChI=1S/C11H16N2.2ClH/c1-13(2)9-5-3-8(4-6-9)10-7-11(10)12;;/h3-6,10-11H,7,12H2,1-2H3;2*1H
• InChIKey: UNGGFVISCZZMJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-aminocyclopropyl)-N,N-dimethylaniline dihydrochloride
• IUPAC Traditional name: 4-(2-aminocyclopropyl)-N,N-dimethylaniline dihydrochloride
• Synonyms: 4-(2-aminocyclopropyl)-N,N-dimethylaniline dihydrochloride

Database IDs

• MDL Number: MFCD18380618
• PubChem SID: 164328068
• PubChem CID: 50988353

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6956022
• LogD (pH = 7.4): -0.7826035
• Log P: 1.4469264
• Molar Refractivity: 56.1252 cm^3
• Polarizability: 21.421097 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.643

Product Information

• Purity: 95%