2-N,2-N-diethylpyridine-2,5-diamine

• ChemBase ID: 48316
• Molecular Formular: C9H15N3
• Molecular Mass: 165.2355
• Monoisotopic Mass: 165.1265975
• SMILES: n1c(N(CC)CC)ccc(c1)N
• Canonical SMILES: CCN(c1ccc(cn1)N)CC
• InChI: InChI=1S/C9H15N3/c1-3-12(4-2)9-6-5-8(10)7-11-9/h5-7H,3-4,10H2,1-2H3
• InChIKey: OBNDQWYYQMAJDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N,2-N-diethylpyridine-2,5-diamine
• IUPAC Traditional name: 2-N,2-N-diethylpyridine-2,5-diamine
• Synonyms: N2,N2-Diethyl-2,5-pyridinediamine; N~2~,N~2~-diethyl-2,5-pyridinediamine; 2-N,2-N-diethylpyridine-2,5-diamine

Database IDs

• CAS Number: 34392-84-2
• MDL Number: MFCD09046037
• PubChem SID: 162053079
• PubChem CID: 11788486

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.18951668
• LogD (pH = 7.4): 1.2303064
• Log P: 1.3427647
• Molar Refractivity: 52.8408 cm^3
• Polarizability: 19.075092 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.09

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%