2-N-cyclopropylpyridine-2,3-diamine

• ChemBase ID: 73500
• Molecular Formular: C8H11N3
• Molecular Mass: 149.19304
• Monoisotopic Mass: 149.09529737
• SMILES: n1c(c(ccc1)N)NC1CC1
• Canonical SMILES: Nc1cccnc1NC1CC1
• InChI: InChI=1S/C8H11N3/c9-7-2-1-5-10-8(7)11-6-3-4-6/h1-2,5-6H,3-4,9H2,(H,10,11)
• InChIKey: QHUFORDTLJHGBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N-cyclopropylpyridine-2,3-diamine; N2-cyclopropylpyridine-2,3-diamine
• IUPAC Traditional name: 2-N-cyclopropylpyridine-2,3-diamine; N2-cyclopropylpyridine-2,3-diamine
• Synonyms: 3-Amino-2-(cyclopropylamino)pyridine 95+%; N2-cyclopropylpyridine-2,3-diamine

Database IDs

• CAS Number: 290313-23-4
• MDL Number: MFCD00174354
• PubChem SID: 162038419
• PubChem CID: 2735310

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.8197312
• LogD (pH = 7.4): 0.26655737
• Log P: 0.45944762
• Molar Refractivity: 46.32 cm^3
• Polarizability: 16.503668 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 110-112°C

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%