3-(3-ISOPROPYL-5-METHYL-4H-1,2,4-TRIAZOL-4-YL)-8-AZABICYCLO[3.2.1]OCTANE-P-TOLUENESULFONATE

CAS No.
423165-08-6
CCD No.
CCD03256398
Formula
C13 H22 N4 . C7 H8 O3 S
MolWeight
406.548

Basic Information

Product Name: 3-(3-ISOPROPYL-5-METHYL-4H-1,2,4-TRIAZOL-4-YL)-8-AZABICYCLO[3.2.1]OCTANE-P-TOLUENESULFONATE
CAS: 423165-08-6
English Synonyms: 3-(3-ISOPROPYL-5-METHYL-4H-1,2,4-TRIAZOL-4-YL)-8-AZABICYCLO[3.2.1]OCTANE-P-TOLUENESULFONATE ; 3-[3-METHYL-5-(PROPAN-2-YL)-4H-1,2,4-TRIAZOL-4-YL]-8-AZABICYCLO[3.2.1]OCTANE 4-METHYLBENZENESULFONATE
MDL Number.: MFCD16876380
H bond acceptor: 4
H bond donor: 1
Smile: Cc1ccc(cc1)S(=O)(=O)O.Cc1nnc(n1C2C[C@@H]3CC[C@H](C2)N3)C(C)C
InChi: InChI=1S/C13H22N4.C7H8O3S/c1-8(2)13-16-15-9(3)17(13)12-6-10-4-5-11(7-12)14-10;1-6-2-4-7(5-3-6)11(8,9)10/h8,10-12,14H,4-7H2,1-3H3;2-5H,1H3,(H,8,9,10)/t10-,11+,12?;
InChiKey: InChIKey=BVRVOZLPVSXSLY-ZLURZNERSA-N

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