1173167-13-9 Purity
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Specification
The molecular formula is C14H25BClNO2.
The PubChem CID is 49853524.
The molecular weight is 285.62 g/mol.
The IUPAC name is (2S)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidine hydrochloride.
The InChI is InChI=1S/C14H24BNO2.ClH/c1-13(2)9-7-10(13)14(3)11(8-9)17-15(18-14)12-5-4-6-16-12;/h9-12,16H,4-8H2,1-3H3;1H/t9-,10-,11+,12-,14-;/m1./s1.
The Canonical SMILES is B1(OC2CC3CC(C3(C)C)C2(O1)C)C4CCCN4.Cl.
The CAS number is 149716-73-4.
The hydrogen bond donor count is 2.
The hydrogen bond acceptor count is 3.
Yes, (S)-BoroPro-(-)-Pinanediol-HCl is canonicalized.