({6-bromoimidazo[1,2-a]pyridin-3-yl}methyl)dimethylamine hydrochloride

• ChemBase ID: 42288
• Molecular Formular: C10H13BrClN3
• Molecular Mass: 290.58732
• Monoisotopic Mass: 288.99813711
• SMILES: n12c(ncc1CN(C)C)ccc(c2)Br.Cl
• Canonical SMILES: CN(Cc1cnc2n1cc(Br)cc2)C.Cl
• InChI: InChI=1S/C10H12BrN3.ClH/c1-13(2)7-9-5-12-10-4-3-8(11)6-14(9)10;/h3-6H,7H2,1-2H3;1H
• InChIKey: YDYMEXAWBPZGDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({6-bromoimidazo[1,2-a]pyridin-3-yl}methyl)dimethylamine hydrochloride
• IUPAC Traditional name: ({6-bromoimidazo[1,2-a]pyridin-3-yl}methyl)dimethylamine hydrochloride
• Synonyms: (6-Bromoimidazo[1,2-a]pyridin-3-yl)-N,N-dimethylmethanamine hydrochloride

Database IDs

• MDL Number: MFCD09817424
• PubChem SID: 162047051
• PubChem CID: 24213739

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.1854429
• LogD (pH = 7.4): 0.6335127
• Log P: 1.3896999
• Molar Refractivity: 61.9794 cm^3
• Polarizability: 23.094643 Å^3
• Polar Surface Area: 20.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 223 - 225 (dec) °C; 223-225°C(dec)

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%