6-(aminomethyl)-N,N-dimethylpyridin-2-amine

• ChemBase ID: 243323
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: n1c(N(C)C)cccc1CN
• Canonical SMILES: NCc1cccc(n1)N(C)C
• InChI: InChI=1S/C8H13N3/c1-11(2)8-5-3-4-7(6-9)10-8/h3-5H,6,9H2,1-2H3
• InChIKey: WSDSLOJOKKCEHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(aminomethyl)-N,N-dimethylpyridin-2-amine
• IUPAC Traditional name: 6-(aminomethyl)-N,N-dimethylpyridin-2-amine
• Synonyms: 6-(aminomethyl)-N,N-dimethylpyridin-2-amine

Database IDs

• CAS Number: 1060801-43-5
• MDL Number: MFCD13188974
• PubChem SID: 164299233
• PubChem CID: 62300498

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1174464
• LogD (pH = 7.4): -0.5677311
• Log P: 0.6653151
• Molar Refractivity: 46.5944 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

• Hydrophobicity(logP): 0.311

Product Information

• Purity: 95%; 98%