570406-98-3 Purity
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Specification
The molecular formula is C20H33N3O7.
The molecular weight is 427.5 g/mol.
The IUPAC Name is [2,2-bis[3-(aziridin-1-yl)propanoyloxymethyl]-3-hydroxypropyl] 3-(aziridin-1-yl)propanoate.
The InChI is InChI=1S/C20H33N3O7/c24-13-20(14-28-17(25)1-4-21-7-8-21,15-29-18(26)2-5-22-9-10-22)16-30-19(27)3-6-23-11-12-23/h24H,1-16H2.
The InChIKey is KAPCRJOPWXUMSQ-UHFFFAOYSA-N.
The canonical SMILES is C1CN1CCC(=O)OCC(CO)(COC(=O)CCN2CC2)COC(=O)CCN3CC3.
The CAS number is 57116-45-7.
The molecular weight is 427.5 g/mol.
The XLogP3-AA value is -1.4.
It has 10 hydrogen bond acceptors.