Basic information
- CAS
1141669-72-8- Standard SMILES
CC(C)(C)OC(=O)N1CCc2nc(N)[nH]c2C1- InChIKey
RJRKTSBDEQYIJQ-UHFFFAOYSA-N- Molecular formula
- C11H18N4O2
- Average molar mass
- 238.29 g/mol
- Monoisotopic mass
- 238.14297583
Names & identifiers
- Preferred name
- 5H-Imidazo[4,5-c]pyridine-5-carboxylic acid, 2-amino-3,4,6,7-tetrahydro-, 1,1-dimethylethyl ester
- IUPAC
- tert-butyl 2-amino-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
Names & synonyms
1141669-72-85H-Imidazo[4,5-c]pyridine-5-carboxylic acid, 2-amino-3,4,6,7-tetrahydro-, 1,1-dimethylethyl esterDTXSID901116071AKOS015151799tert-butyl 2-amino-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylatetert-Butyl 2-amino-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridine-5-carboxylate
Database identifiers
- CAS
1141669-72-8- PubChem CID
- 57366404
- DTXSID
DTXSID901116071
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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