1-Piperazinecarboxylic acid, 4-(2-(butylamino)ethyl)-, isopropyl ester, hydrochloride

HCID 212426

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Basic information

CAS: 24269-67-8
Standard SMILES: CCCCNCCN1CCN(C(=O)OC(C)C)CC1.Cl
InChIKey: HJMJFRKJWCEFHP-UHFFFAOYSA-N
Molecular formula: C14H30ClN3O2
Average molar mass: 307.86 g/mol
Monoisotopic mass: 307.2026549

Names & identifiers

Preferred name: 1-Piperazinecarboxylic acid, 4-(2-(butylamino)ethyl)-, isopropyl ester, hydrochloride
IUPAC: propan-2-yl 4-[2-(butylamino)ethyl]piperazine-1-carboxylate;hydrochloride

Names & synonyms

24269-67-81-Piperazinecarboxylic acid, 4-(2-(butylamino)ethyl)-, isopropyl ester, hydrochloride4-(2-(Butylamino)ethyl)-1-piperazinecarboxylic acid isopropyl ester hydrochlorideDTXSID30178988RefChem:233575DTXCID90101479Propan-2-yl 4-[2-(butylamino)ethyl]piperazine-1-carboxylate--hydrogen chloride (1/1)

Database identifiers

CAS: 24269-67-8
PubChem CID: 212426
DTXSID: DTXSID30178988

Properties

Computed structural properties

Topological polar surface area: 44.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 20
Formal charge: 0
Complexity: 251

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