476334-33-5 Purity
97+%
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The molecular formula is C12H23BClNO2.
The molecular weight is 259.58 g/mol.
The IUPAC name is (1S)-1-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethanamine;hydrochloride.
The InChI is InChI=1S/C12H22BNO2.ClH/c1-7(14)13-15-10-6-8-5-9(11(8,2)3)12(10,4)16-13;/h7-10H,5-6,14H2,1-4H3;1H/t7-,8-,9-,10+,12-;/m1./s1.
The InChIKey is UTMUMWPHEOQEQA-IMOBDCPJSA-N.
The canonical SMILES is B1(OC2CC3CC(C3(C)C)C2(O1)C)C(C)N.Cl.
The isomeric SMILES is B1(O[C@H]2C[C@H]3C[C@@H]([C@]2(O1)C)C3(C)C)[C@@H](C)N.Cl.
The hydrogen bond donor count is 2.
The hydrogen bond acceptor count is 3.
The topological polar surface area is 44.5Ų.