2-(5-Methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)ethanamine
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Basic information
- CAS
933719-12-1- Standard SMILES
CN1CCc2nc(CCN)[nH]c2C1- InChIKey
REOFKTOLQMIKLL-UHFFFAOYSA-N- Molecular formula
- C9H16N4
- Average molar mass
- 180.25 g/mol
- Monoisotopic mass
- 180.13749653
Names & identifiers
- Preferred name
- 2-(5-Methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)ethanamine
- IUPAC
- 2-(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)ethanamine
- English name
- 3H-Imidazo[4,5-c]pyridine-2-ethanamine, 4,5,6,7-tetrahydro-5-methyl-
- Molecular formula
- C9H16N4
- Molecular weight
- 180.25
Names & synonyms
933719-12-12-(5-Methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)ethanamine2-{5-methyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-2-yl}ethan-1-amine3H-Imidazo[4,5-c]pyridine-2-ethanamine, 4,5,6,7-tetrahydro-5-methyl-
Database identifiers
- CAS
933719-12-1- PubChem CID
- 45120677
Properties
Computed structural propertiesFilling in
- XLogP
- -0.6
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Boiling point
- 405.5 · 405.5±45.0 °C(Predicted)
- Density
- 1.16 · 1.160±0.06 g/cm3(Predicted)
- pka
- 14.19 · 14.19±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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