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

• ChemBase ID: 48557
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: n1c(N(C)C)ccc(c1)CN
• Canonical SMILES: NCc1ccc(nc1)N(C)C
• InChI: InChI=1S/C8H13N3/c1-11(2)8-4-3-7(5-9)6-10-8/h3-4,6H,5,9H2,1-2H3
• InChIKey: YJIDKQVYACIBPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(aminomethyl)-N,N-dimethylpyridin-2-amine
• IUPAC Traditional name: 5-(aminomethyl)-N,N-dimethylpyridin-2-amine
• Synonyms: 5-(Aminomethyl)-N,N-dimethyl-2-pyridinamine; 5-(aminomethyl)-N,N-dimethylpyridin-2-amine

Database IDs

• CAS Number: 354824-17-2
• MDL Number: MFCD08272104
• PubChem SID: 162053320
• PubChem CID: 16788596

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.4220965
• LogD (pH = 7.4): -1.2826945
• Log P: 0.58384323
• Molar Refractivity: 47.1166 cm^3
• Polarizability: 17.619976 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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%