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Specification
The molecular formula is C10H22N2O2.
Some synonyms include: tert-butyl N-(2-aminoethyl)-N-propylcarbamate, tert-butyl (2-aminoethyl)(propyl)carbamate, and N-Boc-N-propylethylenediamine.
The molecular weight is 202.29 g/mol.
The IUPAC name is tert-butyl N-(2-aminoethyl)-N-propylcarbamate.
The InChI molecular formula is InChI=1S/C10H22N2O2/c1-5-7-12(8-6-11)9(13)14-10(2,3)4/h5-8,11H2,1-4H3.
The InChIKey is XQUOSTRRFPZQLE-UHFFFAOYSA-N.
The canonical SMILES is CCCN(CCN)C(=O)OC(C)(C)C.
The CAS number is 105628-64-6.
The EC number is 681-287-5.
Yes, it is a canonicalized compound.