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The molecular formula is C7H16BrCl2N3O.
The molecular weight is 309.03 g/mol.
The IUPAC name is "(2-aminopropanoylamino)-bis(2-chloroethyl)azanium;bromide".
The InChI is "InChI=1S/C7H15Cl2N3O.BrH/c1-6(10)7(13)11-12(4-2-8)5-3-9;/h6H,2-5,10H2,1H3,(H,11,13);1H".
The InChIKey is "QZFFLGQAFRHKRY-UHFFFAOYSA-N".
The canonical SMILES is "CC(C(=O)N[NH+](CCCl)CCCl)N.[Br-]".
The CAS number is 92352-08-4.
The hydrogen bond donor count is 3.
The hydrogen bond acceptor count is 3.
The rotatable bond count is 6.
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