imidazo[1,2-a]pyridin-3-amine

• ChemBase ID: 141299
• Molecular Formular: C7H7N3
• Molecular Mass: 133.15058
• Monoisotopic Mass: 133.06399724
• SMILES: c1ccn2c(c1)ncc2N
• Canonical SMILES: Nc1cnc2n1cccc2
• InChI: InChI=1S/C7H7N3/c8-6-5-9-7-3-1-2-4-10(6)7/h1-5H,8H2
• InChIKey: RTOFMMILZZGGNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyridin-3-amine
• IUPAC Traditional name: imidazo[1,2-a]pyridin-3-amine
• Synonyms: Imidazo[1,2-a]pyridin-3-amine; 3-Amino-imidazo[1,2-a]pyridine; 3-Aminoimidazo[1,2-a]pyridine; 3-氨基咪唑并[1,2-a]吡啶

Database IDs

• CAS Number: 28036-33-1
• MDL Number: MFCD06660421
• PubChem SID: 162235533
• PubChem CID: 432221

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0371867
• LogD (pH = 7.4): -0.5140134
• Log P: 0.01991448
• Molar Refractivity: 39.8901 cm^3
• Polarizability: 14.415065 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 114-126 °C

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C7H7N3

DETAILS

Sigma Aldrich - 685755

Packaging
250 mg in glass bottle

Toronto Research Chemicals - A611725

Intermediate in the production of mutagenic pyrolyzates.

REFERENCES

• Grassy, G., et al.: Eur. J. Med. Chem., 17, 109 (1982)