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

• ChemBase ID: 256594
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: c1(nccc(c1)CN)N(C)C
• Canonical SMILES: NCc1ccnc(c1)N(C)C
• InChI: InChI=1S/C8H13N3/c1-11(2)8-5-7(6-9)3-4-10-8/h3-5H,6,9H2,1-2H3
• InChIKey: FVBLFJODKIHJMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(aminomethyl)-N,N-dimethylpyridin-2-amine
• IUPAC Traditional name: 4-(aminomethyl)-N,N-dimethylpyridin-2-amine
• Synonyms: 4-(aminomethyl)-N,N-dimethylpyridin-2-amine

Database IDs

• CAS Number: 354824-18-3
• MDL Number: MFCD09734572
• PubChem SID: 164312504
• PubChem CID: 16787804

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.4335124
• LogD (pH = 7.4): -1.3692832
• Log P: 0.58384323
• Molar Refractivity: 47.1166 cm^3
• Polarizability: 17.619736 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%