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AG00006Q

100-76-5 | Quinuclidine

AG00006Q

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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

GHS Hazard and Precautionary Statements

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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CERTIFICATE OF ANALYSIS

Chemical Name:	Batch Number:
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Analysis Data:

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Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited