(4S)-2-ethyl-2,5-diazabicyclo[2.2.1]heptane dihydrobromide

: Iupac Name：(4S)-2-ethyl-2,5-diazabicyclo[2.2.1]heptane;dihydrobromide; CAS No.: 1630818-55-1; Molecular Weight：288.02; Modify Date.: 2023-02-11 14:03

1. Names and Identifiers

: 1.1 Name; (4S)-2-ethyl-2,5-diazabicyclo[2.2.1]heptane dihydrobromide; 1.2 Synonyms; (1R,4S)-2-Ethyl-2,5-diazabicyclo[2.2.1]heptane dihydrobromide (1S,4S)-2-ethyl-2,5-diazabicyclo[2.2.1]heptane dihydrobromide (4S)-2-ETHYL-2,5-DIAZABICYCLO[2.2.1]HEPTANE 2HBR 2,5-Diazabicyclo[2.2.1]heptane, 2-ethyl-, (1R,4S)-, hydrobromide (1:2)

1.6 Inchi: InChI=1S/C7H14N2.2BrH/c1-2-9-5-6-3-7(9)4-8-6;;/h6-8H,2-5H2,1H3;2*1H/t6-,7?;;/m0../s1

2. Computational chemical data

Molecular Weight: 288.02g/mol
Molecular Formula: C₇H₁₆Br₂N₂
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 287.96597
Monoisotopic Mass: 285.96802
Complexity: 114
Rotatable Bond Count: 1
Hydrogen Bond Donor Count: 3
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 15.3
Heavy Atom Count: 11
Defined Atom Stereocenter Count: 1
Undefined Atom Stereocenter Count: 1
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 3
CACTVS Substructure Key Fingerprint: AAADceBjAAAAGAAAAAAAAAAAAAAAAWLAAAAsAAAAAAAAAAAAAAAAHAAQAAAACCjBAAQCAAPAAAAAAAAAAAAAAAAAAAAAAIAIAAAAQAIAwAAUAAAAEACAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==