935753-02-9 Purity
96%
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Specification
The molecular formula is C11H22N2O2.
The synonyms are 935843-93-9, 1-Boc-7-methyl-1,4-diazepane, 7-METHYL-[1,4]DIAZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, Hexahydro-7-methyl-1H-1,4-diazepine-1-carboxylic Acid 1,1-Dimethylethyl ester.
The molecular weight is 214.30 g/mol.
The IUPAC name is tert-butyl 7-methyl-1,4-diazepane-1-carboxylate.
The InChI is InChI=1S/C11H22N2O2/c1-9-5-6-12-7-8-13(9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3.
The InChIKey is DUYDMHWWVXLFDB-UHFFFAOYSA-N.
The canonical SMILES is CC1CCNCCN1C(=O)OC(C)(C)C.
The CAS number is 935843-93-9.
The hydrogen bond donor count is 1.
Yes, it is a canonicalized compound.