[2-(dimethylamino)ethyl](pyridin-3-ylmethyl)amine

• ChemBase ID: 13555
• Molecular Formular: C10H17N3
• Molecular Mass: 179.26208
• Monoisotopic Mass: 179.14224756
• SMILES: CN(CCNCc1cnccc1)C
• Canonical SMILES: CN(CCNCc1cccnc1)C
• InChI: InChI=1S/C10H17N3/c1-13(2)7-6-12-9-10-4-3-5-11-8-10/h3-5,8,12H,6-7,9H2,1-2H3
• InChIKey: XYGQVQONQGFXFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(dimethylamino)ethyl](pyridin-3-ylmethyl)amine
• IUPAC Traditional name: [2-(dimethylamino)ethyl](pyridin-3-ylmethyl)amine
• Synonyms: N,N-Dimethyl-N'-pyridin-3-ylmethyl-ethane-1,2-diamine; [2-(dimethylamino)ethyl](pyridin-3-ylmethyl)amine

Database IDs

• MDL Number: MFCD03856646
• PubChem SID: 160976862
• PubChem CID: 3154225

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.9148493
• LogD (pH = 7.4): -1.3823436
• Log P: 0.33256674
• Molar Refractivity: 55.1682 cm^3
• Polarizability: 21.70964 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%