imidazo[1,2-a]pyridin-2-ylmethanamine hydrate dihydrochloride

• ChemBase ID: 144319
• Molecular Formular: C8H13Cl2N3O
• Molecular Mass: 238.11432
• Monoisotopic Mass: 237.04356741
• SMILES: c1ccn2cc(nc2c1)CN.O.Cl.Cl
• Canonical SMILES: NCc1nc2n(c1)cccc2.O.Cl.Cl
• InChI: InChI=1S/C8H9N3.2ClH.H2O/c9-5-7-6-11-4-2-1-3-8(11)10-7;;;/h1-4,6H,5,9H2;2*1H;1H2
• InChIKey: NSAAOFIZUOXXMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyridin-2-ylmethanamine hydrate dihydrochloride
• IUPAC Traditional name: imidazo[1,2-a]pyridin-2-ylmethanamine hydrate dihydrochloride
• Synonyms: (Imidazo[1,2-a]pyridin-2-ylmethyl)amine dihydrochloride hydrate

Database IDs

• MDL Number: MFCD11841324
• PubChem SID: 162238534
• PubChem CID: 45595352

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8055897
• LogD (pH = 7.4): -1.2443535
• Log P: -0.033210248
• Molar Refractivity: 43.8876 cm^3
• Polarizability: 16.652065 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C8H13Cl2N3O

DETAILS

Sigma Aldrich - CBR00989

Analysis Note
may contain up to 1 eq water and/or trace amounts of hydrazine
Other Notes
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Legal Information
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