4-N-cyclopropylpyridine-3,4-diamine

• ChemBase ID: 288246
• Molecular Formular: C8H11N3
• Molecular Mass: 149.19304
• Monoisotopic Mass: 149.09529737
• SMILES: Nc1c(NC2CC2)ccnc1
• Canonical SMILES: Nc1cnccc1NC1CC1
• InChI: InChI=1S/C8H11N3/c9-7-5-10-4-3-8(7)11-6-1-2-6/h3-6H,1-2,9H2,(H,10,11)
• InChIKey: VPGWOWXXDKITFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-N-cyclopropylpyridine-3,4-diamine
• IUPAC Traditional name: 4-N-cyclopropylpyridine-3,4-diamine
• Synonyms: N4-Cyclopropylpyridine-3,4-diamine

Database IDs

• CAS Number: 146950-68-7
• PubChem SID: 180673777
• PubChem CID: 19102553

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.1195055
• LogD (pH = 7.4): -1.0612811
• Log P: -0.1350099
• Molar Refractivity: 46.0065 cm^3
• Polarizability: 16.499561 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%