Basic information
- CAS
67049-78-9- Standard SMILES
CC(C)N(C(=O)Oc1ccc[nH+]c1C[NH+](C)C)C(C)C.[Cl-].[Cl-]- InChIKey
JZQDTXOQILEOMW-UHFFFAOYSA-N- Molecular formula
- C15H27Cl2N3O2
- Average molar mass
- 352.3 g/mol
- Monoisotopic mass
- 351.1480325
Names & identifiers
- Preferred name
- Carbamic acid, diisopropyl-, (2-((dimethylamino)methyl)-3-pyridyl) ester, dihydrochloride
- IUPAC
- [3-[di(propan-2-yl)carbamoyloxy]pyridin-1-ium-2-yl]methyl-dimethylazanium dichloride
Names & synonyms
Ro 2-2421Diisopropylcarbamic acid (2-((dimethylamino)methyl)-3-pyridyl) ester dihydrochloride67049-78-9Carbamic acid, diisopropyl-, (2-((dimethylamino)methyl)-3-pyridyl) ester, dihydrochlorideRefChem:332355
Database identifiers
- CAS
67049-78-9- PubChem CID
- 49101
Properties
Computed structural properties
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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