[2-(dimethylamino)ethyl](pyridin-2-ylmethyl)amine

• ChemBase ID: 13554
• Molecular Formular: C10H17N3
• Molecular Mass: 179.26208
• Monoisotopic Mass: 179.14224756
• SMILES: CN(CCNCc1ncccc1)C
• Canonical SMILES: CN(CCNCc1ccccn1)C
• InChI: InChI=1S/C10H17N3/c1-13(2)8-7-11-9-10-5-3-4-6-12-10/h3-6,11H,7-9H2,1-2H3
• InChIKey: DBEIHURZAFSRSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(dimethylamino)ethyl](pyridin-2-ylmethyl)amine
• IUPAC Traditional name: [2-(dimethylamino)ethyl](pyridin-2-ylmethyl)amine
• Synonyms: [2-(dimethylamino)ethyl](pyridin-2-ylmethyl)amine; N,N-Dimethyl-N'-pyridin-2-ylmethyl-ethane-1,2-diamine

Database IDs

• MDL Number: MFCD03856645
• PubChem SID: 160976861
• PubChem CID: 3154224

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.6807888
• LogD (pH = 7.4): -0.9730078
• Log P: 0.41403863
• Molar Refractivity: 54.646 cm^3
• Polarizability: 21.710505 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.393

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%