Basic information
- CAS
24269-68-9- Standard SMILES
CCCCN(CCN1CCN(C(=O)OC(C)C)CC1)C(=O)OC(C)C.Cl- InChIKey
RSGYNYGHJXMTLB-UHFFFAOYSA-N- Molecular formula
- C18H36ClN3O4
- Average molar mass
- 393.9 g/mol
- Monoisotopic mass
- 393.2394343
Names & identifiers
- Preferred name
- 1-Piperazinecarboxylic acid, 4-(2-(butylcarboxyamino)ethyl)-, diisopropyl ester, hydrochloride
- IUPAC
- propan-2-yl 4-[2-[butyl(propan-2-yloxycarbonyl)amino]ethyl]piperazine-1-carboxylate;hydrochloride
Names & synonyms
24269-68-91-Piperazinecarboxylic acid, 4-(2-(butylcarboxyamino)ethyl)-, diisopropyl ester, hydrochloride4-(2-(Butylcarboxyamino)ethyl)-1-piperazinecarboxylic acid diisopropyl ester hydrochlorideDTXSID90178989RefChem:233576DTXCID00101480Propan-2-yl 4-[2-(butyl{[(propan-2-yl)oxy]carbonyl}amino)ethyl]piperazine-1-carboxylate--hydrogen chloride (1/1)
Database identifiers
- CAS
24269-68-9- PubChem CID
- 212428
- DTXSID
DTXSID90178989
Properties
Computed structural properties
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 407
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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