Carbamic acid, (4-(4-(2-(diethylamino)ethyl)-1-piperazinyl)butyl)-, ethyl ester, hydrochloride

HCID 32269

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Basic information

CAS: 24280-44-2
Standard SMILES: CCOC(=O)NCCCCN1CC[NH+](CCN(CC)CC)CC1.[Cl-]
InChIKey: ADIHMEWSSOIQQD-UHFFFAOYSA-N
Molecular formula: C17H37ClN4O2
Average molar mass: 365 g/mol
Monoisotopic mass: 364.2605041

Names & identifiers

Preferred name: Carbamic acid, (4-(4-(2-(diethylamino)ethyl)-1-piperazinyl)butyl)-, ethyl ester, hydrochloride
IUPAC: ethyl N-[4-[4-[2-(diethylamino)ethyl]piperazin-4-ium-1-yl]butyl]carbamate chloride

Names & synonyms

Carbamic acid, (4-(4-(2-(diethylamino)ethyl)-1-piperazinyl)butyl)-, ethyl ester, hydrochloride(4-(4-(2-(Diethylamino)ethyl)-1-piperazinyl)butyl)carbamic acid ethyl ester hydrochloride24280-44-2RefChem:332093

Database identifiers

CAS: 24280-44-2
PubChem CID: 32269

Properties

Computed structural properties

Topological polar surface area: 49.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 12
Heavy atoms: 24
Formal charge: 0
Complexity: 303

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