2-N,2-N,3-N-trimethylpyridine-2,3-diamine hydrochloride

• ChemBase ID: 235139
• Molecular Formular: C8H14ClN3
• Molecular Mass: 187.66986
• Monoisotopic Mass: 187.08762514
• SMILES: c1(ncccc1NC)N(C)C.Cl
• Canonical SMILES: CNc1cccnc1N(C)C.Cl
• InChI: InChI=1S/C8H13N3.ClH/c1-9-7-5-4-6-10-8(7)11(2)3;/h4-6,9H,1-3H3;1H
• InChIKey: NEZXXDDTZITCKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N,2-N,3-N-trimethylpyridine-2,3-diamine hydrochloride
• IUPAC Traditional name: 2-N,2-N,3-N-trimethylpyridine-2,3-diamine hydrochloride
• Synonyms: 2-N,2-N,3-N-trimethylpyridine-2,3-diamine hydrochloride

Database IDs

• MDL Number: MFCD22056370
• PubChem SID: 164291049
• PubChem CID: 71755443

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.2999157
• LogD (pH = 7.4): 0.776361
• Log P: 0.9308529
• Molar Refractivity: 48.837 cm^3
• Polarizability: 17.232529 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.83

Product Information

• Purity: 95%