2-N,2-N-dimethylpyridine-2,5-diamine

• ChemBase ID: 48314
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: n1c(N(C)C)ccc(c1)N
• Canonical SMILES: Nc1ccc(nc1)N(C)C
• InChI: InChI=1S/C7H11N3/c1-10(2)7-4-3-6(8)5-9-7/h3-5H,8H2,1-2H3
• InChIKey: OBOSXEWFRARQPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N,2-N-dimethylpyridine-2,5-diamine
• IUPAC Traditional name: 2-N,2-N-dimethylpyridine-2,5-diamine
• Synonyms: N2,N2-Dimethyl-2,5-pyridinediamine; N~2~,N~2~-dimethyl-2,5-pyridinediamine; N2,N2-Dimethylpyridine-2,5-diamine; N~2~,N~2~-dimethylpyridine-2,5-diamine

Database IDs

• CAS Number: 4928-43-2
• MDL Number: MFCD08691371
• PubChem SID: 162053077
• PubChem CID: 78642

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.55642766
• LogD (pH = 7.4): 0.50134706
• Log P: 0.62914884
• Molar Refractivity: 43.3436 cm^3
• Polarizability: 15.389099 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 54 - 56°C
• Hydrophobicity(logP): 1.032

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%