3,8-Diazabicyclo(3.2.1)octane, 3-(2-chloroethyl)-8-propionyl-

HCID 45822

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Basic information

CAS: 63977-85-5
Standard SMILES: CCC(=O)N1C2CCC1CN(CCCl)C2
InChIKey: PWDDDZZOGAIYGD-UHFFFAOYSA-N
Molecular formula: C11H19ClN2O
Average molar mass: 230.73 g/mol
Monoisotopic mass: 230.1185909

Names & identifiers

Preferred name: 3,8-Diazabicyclo(3.2.1)octane, 3-(2-chloroethyl)-8-propionyl-
IUPAC: 1-[3-(2-chloroethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one
English name: 3-(2-Chloroethyl)-8-propionyl-3,8-diazabicyclo[3.2.1]octane
Molecular formula: C11H19ClN2O
Molecular weight: 230.73

Names & synonyms

BRN 051899663977-85-53-(2-Chloroethyl)-8-propionyl-3,8-diazabicyclo(3.2.1)octane3,8-DIAZABICYCLO(3.2.1)OCTANE, 3-(2-CHLOROETHYL)-8-PROPIONYL-5-23-03-00465 (Beilstein Handbook Reference)3-(2-Chloroethyl)-8-propionyl-3,8-diazabicyclo[3.2.1]octaneRefChem:2726771-[3-(2-chloroethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-oneDTXSID20981443DB-3037591-Propanone, 1-[3-(2-chloroethyl)-3,8-diazabicyclo[3.2.1]oct-8-yl]-

Database identifiers

CAS: 63977-85-5
PubChem CID: 45822
DTXSID: DTXSID20981443
Nikkaji: J68.421J

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 23.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 233

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