2-N,2-N-diethylpyridine-2,3-diamine

• ChemBase ID: 48506
• Molecular Formular: C9H15N3
• Molecular Mass: 165.2355
• Monoisotopic Mass: 165.1265975
• SMILES: c1(ncccc1N)N(CC)CC
• Canonical SMILES: CCN(c1ncccc1N)CC
• InChI: InChI=1S/C9H15N3/c1-3-12(4-2)9-8(10)6-5-7-11-9/h5-7H,3-4,10H2,1-2H3
• InChIKey: WSKZNAZWRSCWDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N,2-N-diethylpyridine-2,3-diamine
• IUPAC Traditional name: 2-N,2-N-diethylpyridine-2,3-diamine
• Synonyms: N2,N2-Diethyl-2,3-pyridinediamine

Database IDs

• MDL Number: MFCD09045566
• PubChem SID: 162053269
• PubChem CID: 16773228

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.12933785
• LogD (pH = 7.4): 1.1993617
• Log P: 1.3427647
• Molar Refractivity: 52.8408 cm^3
• Polarizability: 19.076473 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false