1-Piperazinecarboxylic acid, 4-(2-(diisobutylamino)ethyl)-, ethyl ester, hydrochloride
Basic information
- CAS
24269-52-1- Standard SMILES
CCOC(=O)N1CCN(CCN(CC(C)C)CC(C)C)CC1.Cl- InChIKey
KAJNZTUWDCTSIX-UHFFFAOYSA-N- Molecular formula
- C17H36ClN3O2
- Average molar mass
- 349.9 g/mol
- Monoisotopic mass
- 349.2496051
Names & identifiers
- Preferred name
- 1-Piperazinecarboxylic acid, 4-(2-(diisobutylamino)ethyl)-, ethyl ester, hydrochloride
- IUPAC
- ethyl 4-[2-[bis(2-methylpropyl)amino]ethyl]piperazine-1-carboxylate;hydrochloride
Names & synonyms
24269-52-11-Piperazinecarboxylic acid, 4-(2-(diisobutylamino)ethyl)-, ethyl ester, hydrochloride4-(2-(Diisobutylamino)ethyl)-1-piperazinecarboxylic acid ethyl ester hydrochlorideDTXSID60178976RefChem:233603DTXCID20101467Ethyl 4-{2-[bis(2-methylpropyl)amino]ethyl}piperazine-1-carboxylate--hydrogen chloride (1/1)
Database identifiers
- CAS
24269-52-1- PubChem CID
- 212396
- DTXSID
DTXSID60178976
Properties
Computed structural properties
- Topological polar surface area
- 36 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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