N-(2-aminoethyl)-N-methylpyridin-2-amine

• ChemBase ID: 802329
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: n1c(cccc1)N(C)CCN
• Canonical SMILES: NCCN(c1ccccn1)C
• InChI: InChI=1S/C8H13N3/c1-11(7-5-9)8-4-2-3-6-10-8/h2-4,6H,5,7,9H2,1H3
• InChIKey: HWDGMJIXPWQDCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminoethyl)-N-methylpyridin-2-amine
• IUPAC Traditional name: N-(2-aminoethyl)-N-methylpyridin-2-amine
• Synonyms: N-(2-AMINOETHYL)-N-METHYLPYRIDIN-2-AMINE

Database IDs

• CAS Number: 93235-04-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.433737
• LogD (pH = 7.4): -1.4896789
• Log P: 0.66109097
• Molar Refractivity: 46.593 cm^3
• Polarizability: 17.624361 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%