[(5-bromopyridin-3-yl)methyl](methyl)amine

• ChemBase ID: 70313
• Molecular Formular: C7H9BrN2
• Molecular Mass: 201.06376
• Monoisotopic Mass: 199.9949103
• SMILES: C(NC)c1cncc(c1)Br
• Canonical SMILES: CNCc1cncc(c1)Br
• InChI: InChI=1S/C7H9BrN2/c1-9-3-6-2-7(8)5-10-4-6/h2,4-5,9H,3H2,1H3
• InChIKey: UHDHQYPCHVXIKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-bromopyridin-3-yl)methyl](methyl)amine
• IUPAC Traditional name: [(5-bromopyridin-3-yl)methyl](methyl)amine
• Synonyms: 1-(5-Bromopyridin-3-yl)-N-methylmethanamine; N-methyl-(5-bromopyrid-3-yl)methylamine; (5-Bromopyridin-3-yl)-N-methylmethylamine; 3-Bromo-5-[(methylamino)methyl]pyridine 95%

Database IDs

• CAS Number: 73335-64-5
• MDL Number: MFCD07375057
• PubChem SID: 162036036
• PubChem CID: 12515073

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0000439
• LogD (pH = 7.4): -0.60888195
• Log P: 1.0826749
• Molar Refractivity: 44.7719 cm^3
• Polarizability: 17.421118 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 125°C/0.2mm

Safety Information

• Storage Warning: Corrosive/Toxic/Harmful/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%