179324-87-9
(AR,3AS,4S,6S,7AR)-HEXAHYDRO-3A,8,8-TRIMETHYL-ALPHA-(2-METHYLPROPYL)-4,6-METHANO-1,3,2-BENZODIOXABOROLE-2-METHANAMINE 2,2,2-TRIFLUOROACETATE

InChI=1S/C15H28BNO2.C2HF3O2/c1-9(2)6-13(17)16-18-12-8-10-7-11(14(10,3)4)15(12,5)19-16;3-2(4,5)1(6)7/h9-13H,6-8,17H2,1-5H3;(H,6,7)/t10-,11-,12+,13-,15-;/m0./s1

【InChIKey】

InChIKey=SRFQKJZNJYTMNI-CDVUYJLHSA-N

【SMILES】

B1(O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@@]2(O1)C)[C@H](CC(C)C)N.C(=O)(C(F)(F)F)O

【MOL File】

(AR,3AS,4S,6S,7AR)-H….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:1

H bond acceptor:3

XLogP3:2.0

Bulk/Fine:FB

3Material Safety Data Sheet(MSDS)

4CML File

(AR,3AS,4S,6S,7AR)-HEXAHYDRO-3A,8,8-TRIMETHYL-ALPHA-(2-METHYLPROPYL)-4,6-METHANO-1,3,2-BENZODIOXABOROLE-2-METHANAMINE 2,2,2-TRIFLUOROACETATE.cml

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179324-87-9 (AR,3AS,4S,6S,7AR)-HEXAHYDRO-3A,8,8-TRIMETHYL-ALPHA-(2-METHYLPROPYL)-4,6-METHANO-1,3,2-BENZODIOXABOROLE-2-METHANAMINE 2,2,2-TRIFLUOROACETATE

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】