AG003DX4

1660-04-4 | 1-Acetyladamantane

AG003DX4

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CAS Number	1660-04-4
Catalog Number	AG003DX4(AGN-PC-0JLO9G)
Chemical Name	1-Acetyladamantane
EC Number	216-761-9
IUPAC Name	1-(1-adamantyl)ethanone
InChI	InChI=1S/C12H18O/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3
InChI Key	DACIGVIOAFXPHW-UHFFFAOYSA-N
MDL Number	MFCD00074739
Molecular Formula	C12H18O
Molecular Weight	178.2707
SMILES	CC(=O)C23CC1CC(CC(C1)C2)C3
Synonyms	1-Acetyladamantane, 1-Adamantyl methyl ketone, 1660-04-4, 1-adamantylmethylketone, 1-(1-Adamantyl)ethanone, 1-(adamantan-1-yl)ethan-1-one, Methyl 1-adamantyl ketone, Adamantyl methyl ketone, acetyladamantane, 1-Adamantan-1-yl-ethanone, 1-(adamantan-1-yl)ethanone, MFCD00074739, 1-((3r,5r,7r)-adamantan-1-yl)ethan-1-one, 1-Adamantyl methyl ketone, 99%, DACIGVIOAFXPHW-UHFFFAOYSA-N, Methyl tricyclo(3.3.1.13,7)dec-1-yl ketone, Ethanone, 1-tricyclo[3.3.1.13,7]decyl-, 1-Adamantylmethyl ketone (1-Acetyladamantane), Ethanone, 1-tricyclo[3.3.1.1(3,7)-]dec-1-yl-, Ethanone, 1-tricyclo(3.3.1.13,7)dec-1-yl-, Ethanone, 1-tricyclo[3.3.1.13,7]dec-1-yl-, 1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethanone, Acetyldamantane, EINECS 216-761-9, PubChem8748, Methyl adamantyl ketone, ACMC-209dtl, AC1L3VWL, AC1Q5CXO, Methyl adamantyl-1 ketone, Ketone, 1-adamantyl methyl, adamantan-1-yl-ethan-1-one, adamantan-1-yl methyl ketone, KSC175Q1T, SCHEMBL159994, 1-(1-adamantyl)-1-ethanone, SCHEMBL19757635, CTK0H5819, DACIGVIOAFXPHW-UHFFFAOYSA-, RSCBB000927, DTXSID60168059, DACIGVIOAFXPHW-CDECOKDKSA-N, KS-00000C5G, ZINC3861155, ANW-22183, BBL011734, CA-051, SBB008487, STK387539, AKOS000121013, AKOS000423113, AKOS005146501, AM84568, AS-9177, FR-2164, MCULE-1198054908, RTR-007153, TRA0048360, VZ21102, Tricyclo[3.3.1.13.7]decan-1-acetyl, AC-11126, AJ-46137, AK-45272, AN-49627, CJ-10920, SC-01560, ST005688, SY023641, AB0011324, TR-007153, 1-Acetyl-tricyclo[3.3.1.1(3,7)]decane, 4CH-023971, CS-0063144, FT-0633741, ST24037727, MFCD00074739 (98%), VU0494587-1, 1-(tricyclo[3.3.1.13,7]dec-1-yl)ethanone, Ethanone,1-tricyclo[3.3.1.13,7]dec-1-yl-, Z-3434, 660A044, AE-641/00182047, Ethanone, 1-tricyclo[3.3.1.1<3,7>dec-1-yl-, I14-7589, W-107929, F1928-0002, InChI=1/C12H18O/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3, 1-Adamantyl Methy Ketone, 1-(1-adamantyl)ethan-1-one, C12H18O, AR-1C1341, C12-H18-O, CID123126, 1-Adamantyl methyl ketone, 99% 1g, ACN-037068, 1-Adamantyl methyl ketone, 99% - 1G 1g, A1571, Methyl tricyclo[3.3.1.13,7]dec-1-yl ketone, Ethanone, 1-tricyclo[3.3.1.13#,7]dec-1-yl-, Ethanone, 1-tricyclo(3.3.1.1(3,7)-)dec-1-yl-, 16914-92-4, 18220-83-2,

Complexity	213
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.136g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	178.275g/mol
Monoisotopic Mass	178.136g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number