4-[(dimethylamino)methyl]pyridin-2-amine

• ChemBase ID: 286238
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: n1c(cc(CN(C)C)cc1)N
• Canonical SMILES: CN(Cc1ccnc(c1)N)C
• InChI: InChI=1S/C8H13N3/c1-11(2)6-7-3-4-10-8(9)5-7/h3-5H,6H2,1-2H3,(H2,9,10)
• InChIKey: JXAOKSJVAAOSEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(dimethylamino)methyl]pyridin-2-amine
• IUPAC Traditional name: 4-[(dimethylamino)methyl]pyridin-2-amine
• Synonyms: 4-[(dimethylamino)methyl]pyridin-2-amine

Database IDs

• MDL Number: MFCD13249770
• PubChem SID: 180671769
• PubChem CID: 45088278

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.5245147
• LogD (pH = 7.4): -0.7047084
• Log P: 0.46250173
• Molar Refractivity: 47.4577 cm^3
• Polarizability: 17.620798 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 58 - 60°C
• Hydrophobicity(logP): 0.152

Product Information

• Purity: 95%