2-N-ethylpyridine-2,3-diamine

• ChemBase ID: 49238
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: c1(ncccc1N)NCC
• Canonical SMILES: CCNc1ncccc1N
• InChI: InChI=1S/C7H11N3/c1-2-9-7-6(8)4-3-5-10-7/h3-5H,2,8H2,1H3,(H,9,10)
• InChIKey: UQXRQVGWVGDXMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N-ethylpyridine-2,3-diamine
• IUPAC Traditional name: 2-N-ethylpyridine-2,3-diamine
• Synonyms: 2-N-ethylpyridine-2,3-diamine; N2-Ethyl-2,3-pyridinediamine

Database IDs

• MDL Number: MFCD08692123
• PubChem SID: 162054001
• PubChem CID: 13451717

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.94254386
• LogD (pH = 7.4): 0.14397877
• Log P: 0.35069105
• Molar Refractivity: 43.8574 cm^3
• Polarizability: 15.39089 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 108 - 110°C
• Hydrophobicity(logP): 1.318

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%