3-(aminomethyl)-N,N-dimethylcinnolin-4-amine

• ChemBase ID: 278554
• Molecular Formular: C11H14N4
• Molecular Mass: 202.25566
• Monoisotopic Mass: 202.12184647
• SMILES: c1(c(nnc2c1cccc2)CN)N(C)C
• Canonical SMILES: NCc1nnc2c(c1N(C)C)cccc2
• InChI: InChI=1S/C11H14N4/c1-15(2)11-8-5-3-4-6-9(8)13-14-10(11)7-12/h3-6H,7,12H2,1-2H3
• InChIKey: ZTQDLCRXRJCONK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(aminomethyl)-N,N-dimethylcinnolin-4-amine
• IUPAC Traditional name: 3-(aminomethyl)-N,N-dimethylcinnolin-4-amine
• Synonyms: 3-(aminomethyl)-N,N-dimethylcinnolin-4-amine

Database IDs

• MDL Number: MFCD19982593
• PubChem SID: 164334464
• PubChem CID: 54594917

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.87582
• LogD (pH = 7.4): -0.14930867
• Log P: 0.4664147
• Molar Refractivity: 62.2224 cm^3
• Polarizability: 24.276606 Å^3
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.743

Product Information

• Purity: 95%