[2-amino-1-(pyridin-2-yl)ethyl]dimethylamine

• ChemBase ID: 307579
• Molecular Formular: C9H15N3
• Molecular Mass: 165.2355
• Monoisotopic Mass: 165.1265975
• SMILES: C(c1ncccc1)(N(C)C)CN
• Canonical SMILES: NCC(c1ccccn1)N(C)C
• InChI: InChI=1S/C9H15N3/c1-12(2)9(7-10)8-5-3-4-6-11-8/h3-6,9H,7,10H2,1-2H3
• InChIKey: NBDXPIRRODJPLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-amino-1-(pyridin-2-yl)ethyl]dimethylamine
• IUPAC Traditional name: [2-amino-1-(pyridin-2-yl)ethyl]dimethylamine
• Synonyms: N~1~,N~1~-dimethyl-1-pyridin-2-ylethane-1,2-diamine

Database IDs

• CAS Number: 933756-92-4
• MDL Number: MFCD09814667

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.8527386
• LogD (pH = 7.4): -1.1953474
• Log P: 0.19341452
• Molar Refractivity: 49.6167 cm^3
• Polarizability: 19.863752 Å^3
• Polar Surface Area: 42.15 Å^2