4-(aminomethyl)pyridin-2-amine

• ChemBase ID: 67902
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: Nc1cc(ccn1)CN
• Canonical SMILES: NCc1ccnc(c1)N
• InChI: InChI=1S/C6H9N3/c7-4-5-1-2-9-6(8)3-5/h1-3H,4,7H2,(H2,8,9)
• InChIKey: YKQKTLFFQSDTGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(aminomethyl)pyridin-2-amine
• IUPAC Traditional name: 4-(aminomethyl)pyridin-2-amine
• Synonyms: 4-Aminomethylpyridin-2-ylamine; 4-(AMINOMETHYL)PYRIDIN-2-AMINE

Database IDs

• CAS Number: 199296-51-0
• MDL Number: MFCD06213870
• PubChem SID: 162033637
• PubChem CID: 34176886

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.4121325
• LogD (pH = 7.4): -2.3188848
• Log P: -0.3531266
• Molar Refractivity: 37.3884 cm^3
• Polarizability: 13.932478 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%