Basic information
- CAS
89054-78-4- Standard SMILES
CC(N)COC(=O)c1cccnc1.Cl.Cl- InChIKey
UHJOETVMCZNCCY-UHFFFAOYSA-N- Molecular formula
- C9H14Cl2N2O2
- Average molar mass
- 253.12 g/mol
- Monoisotopic mass
- 252.0432331
Names & identifiers
- Preferred name
- 2-Aminopropyl pyridine-3-carboxylate--hydrogen chloride (1/2)
- IUPAC
- 2-aminopropyl pyridine-3-carboxylate;dihydrochloride
Names & synonyms
89054-78-4DTXSID4010086272-Aminopropyl pyridine-3-carboxylate--hydrogen chloride (1/2)RefChem:1062256DTXCID4014354603-Pyridinecarboxylic acid, 2-aminopropyl ester, dihydrochloride
Database identifiers
- CAS
89054-78-4- PubChem CID
- 13222011
- DTXSID
DTXSID401008627
Properties
Computed structural properties
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 173
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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