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Specification
The molecular formula is C9H15NO2.
The molecular weight is 169.22 g/mol.
The InChI of 1-(Boc-amino)-2,3-butadiene is InChI=1S/C9H15NO2/c1-5-6-7-10-8(11)12-9(2,3)4/h6H,1,7H2,2-4H3,(H,10,11).
The InChIKey of 1-(Boc-amino)-2,3-butadiene is AMRPVMHVZVNBQI-UHFFFAOYSA-N.
The canonical SMILES of 1-(Boc-amino)-2,3-butadiene is CC(C)(C)OC(=O)NCC=C=C.
The CAS number of 1-(Boc-amino)-2,3-butadiene is 92136-43-1.
The European Community (EC) number of 1-(Boc-amino)-2,3-butadiene is 685-084-2.
The XLogP3-AA value of 1-(Boc-amino)-2,3-butadiene is 1.2.
1-(Boc-amino)-2,3-butadiene has 1 hydrogen bond donor count.
1-(Boc-amino)-2,3-butadiene has 2 hydrogen bond acceptor counts.