(2-chloropyridin-4-yl)methanamine

• ChemBase ID: 78536
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: n1c(cc(cc1)CN)Cl
• Canonical SMILES: NCc1ccnc(c1)Cl
• InChI: InChI=1S/C6H7ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H,4,8H2
• InChIKey: GGHCWJWUOSNCSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloropyridin-4-yl)methanamine
• IUPAC Traditional name: (2-chloropyridin-4-yl)methanamine
• Synonyms: 1-(2-chloro-4-pyridinyl)methanamine; (2-Chloropyridin-4-yl)methylamine; 4-(Aminomethyl)-2-chloropyridine; (2-Chloropyridin-4-yl)methanamine

Database IDs

• CAS Number: 144900-57-2
• MDL Number: MFCD06212875
• PubChem SID: 162043299
• PubChem CID: 2794167

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2374303
• LogD (pH = 7.4): -1.0484248
• Log P: 0.70556366
• Molar Refractivity: 38.2406 cm^3
• Polarizability: 14.723449 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Harmful/Store under Argon

Product Information

• Purity: 95+%; 98%