Basic information
- CAS
271241-42-0- Standard SMILES
Cl.Cn1c(N)nc2ncc(-c3ccccc3)cc21- InChIKey
HXHJWFHXXVSWAW-UHFFFAOYSA-N- Molecular formula
- C13H13ClN4
- Average molar mass
- 260.72 g/mol
- Monoisotopic mass
- 260.0828741
Names & identifiers
- Preferred name
- PhIP.HCl
- IUPAC
- 1-methyl-6-phenylimidazo[4,5-b]pyridin-2-amine;hydrochloride
Names & synonyms
PhIP.HClPhIP hydrochloridePhIP HClNIOSH/NJ5107700NJ510770002-Amino-1-methyl-6-phenylimidazo(4,5-b)pyridine hydrochloride1-Methyl-6-phenyl-1H-imidazo(4,5-b)pyridin-2-amine hydrochloride1-methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-amine hydrochloride1H-Imidazo(4,5-b)pyridin-2-amine, 1-methyl-6-phenyl-, hydrochloride2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine hydrochloridePhIP monohydrochlorideDTXSID7021154
Show more names
271241-42-01-Methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
271241-42-0- PubChem CID
- 5284446
- DTXSID
DTXSID7021154
Properties
Computed structural properties
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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