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제품 설명
100-76-5 | Quinuclidine
제품 번호
AG00006Q
제품 설명
| CAS Number | 100-76-5 |
| Catalog Number | AG00006Q(AGN-PC-0JK84E) |
| Chemical Name | Quinuclidine |
| EC Number | 202-887-1 |
| IUPAC Name | 1-azabicyclo[2.2.2]octane |
| InChI | InChI=1S/C7H13N/c1-4-8-5-2-7(1)3-6-8/h7H,1-6H2 |
| InChI Key | SBYHFKPVCBCYGV-UHFFFAOYSA-N |
| MDL Number | MFCD00006690 |
| Molecular Formula | C7H13N |
| Molecular Weight | 111.1848 |
| SMILES | N12CCC(CC1)CC2 |
| UNII | XFX99FC5VI |
| Synonyms | QUINUCLIDINE, 100-76-5, 1-Azabicyclo[2.2.2]octane, 1,4-Ethanopiperidine, 1,4-Ethylenepiperidine, Chinuclidin, ABCO, 1-Azabicyclo(2.2.2)octane, UNII-XFX99FC5VI, 4-Azabicyclo[2.2.2]octane, EINECS 202-887-1, MFCD00006690, XFX99FC5VI, CHEMBL1209648, CHEBI:38420, SBYHFKPVCBCYGV-UHFFFAOYSA-N, quinuclidine,1-Azabicyclo[2.2.2]octane, quinuclidinehydrochloride, Quinuclidine, 97%, AC1L1OYP, azabicyclo[2.2.2]octane, DSSTox_CID_31396, DSSTox_RID_97282, DSSTox_GSID_57607, SCHEMBL18960, 1-azabicyclo[2,2,2]octane, 1-Azoniabicyclo[2.2.2]Octane, DTXSID2057607, SCHEMBL11328296, CTK0H6123, KS-000002KD, ZINC1486613, Tox21_113847, BDBM50416495, PDSP1_000405, PDSP2_000403, AKOS015840987, CS-W013663, FCH1115141, MCULE-2429311460, TRA0046996, NCGC00253728-01, AS-31127, CAS-100-76-5, CC-34184, LS-22482, SC-84874, DB-007846, TC-020873, A6664, FT-0080398, FT-0631529, Q0062, 12644-EP2270114A1, 12644-EP2271650A1, 12644-EP2272972A1, 12644-EP2272973A1, 12644-EP2275401A1, 12644-EP2277858A1, 12644-EP2277872A1, 12644-EP2292586A2, 12644-EP2295402A2, 12644-EP2298761A1, 12644-EP2300464A1, 12644-EP2305219A1, 12644-EP2305675A1, 12644-EP2305676A1, 12644-EP2308875A1, 12644-EP2311807A1, 12644-EP2313404A1, 12644-EP2314590A1, 12644-EP2316831A1, 12644-EP2371831A1, 54141-EP2371811A2, 100Q765, C-30766, SR-01000944922, J-000219, SR-01000944922-1, BRD-K84257395-001-01-1, InChI=1/C7H13N/c1-4-8-5-2-7(1)3-6-8/h7H,1-6H, quinuclidin-, Quinuclidine hydrochloride, C7H13N, CID7527, C7-H13-N, ACN-031737, 39896-06-5, |
| Complexity | 71.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 111.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 111.188g/mol |
| Monoisotopic Mass | 111.105g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
| Symbol: |   |
| Hazard statements | H301-H310-H315-H318 |
| Precuationary statements | P280-P301+P310-P302+P350-P305+P351+P338-P310 |
| Siginal words | dangerous |
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