5-phenylpyridine-2,3-diamine

• ChemBase ID: 801130
• Molecular Formular: C11H11N3
• Molecular Mass: 185.22514
• Monoisotopic Mass: 185.09529737
• SMILES: n1c(c(cc(c1)c1ccccc1)N)N
• Canonical SMILES: Nc1ncc(cc1N)c1ccccc1
• InChI: InChI=1S/C11H11N3/c12-10-6-9(7-14-11(10)13)8-4-2-1-3-5-8/h1-7H,12H2,(H2,13,14)
• InChIKey: DLVXNVUHNUJYLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-phenylpyridine-2,3-diamine
• IUPAC Traditional name: 5-phenylpyridine-2,3-diamine
• Synonyms: 5-PHENYLPYRIDINE-2,3-DIAMINE

Database IDs

• CAS Number: 608880-88-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.20112753
• LogD (pH = 7.4): 1.2332224
• Log P: 1.3394043
• Molar Refractivity: 58.7516 cm^3
• Polarizability: 22.71893 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%