AG000BCG

116-66-5 | 2,3-Dihydro-1,1,3,3,5-Pentamethyl-4,6-Dinitro-1H-Indene

AG000BCG

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CAS Number	116-66-5
Catalog Number	AG000BCG(AGN-PC-0JL7JP)
Chemical Name	2,3-Dihydro-1,1,3,3,5-Pentamethyl-4,6-Dinitro-1H-Indene
EC Number	204-149-4
IUPAC Name	1,1,3,3,5-pentamethyl-4,6-dinitro-2H-indene
InChI	InChI=1S/C14H18N2O4/c1-8-10(15(17)18)6-9-11(12(8)16(19)20)14(4,5)7-13(9,2)3/h6H,7H2,1-5H3
InChI Key	UHWURQRPEIFIAK-UHFFFAOYSA-N
MDL Number	MFCD00021242
Molecular Formula	C14H18N2O4
Molecular Weight	278.3037
NSC Number	60035
SMILES	O=N(=O)C=1C=C2C(=C(C1C)N(=O)=O)C(C)(C)CC2(C)C
UNII	1Q49IC9FAW
Synonyms	1,1,3,3,5-pentamethyl-4,6-dinitroindan, moskene, musk moskene, Moskene, 116-66-5, Musk moskene, 1,1,3,3,5-Pentamethyl-4,6-dinitroindane, Musk moskine, UNII-1Q49IC9FAW, CCRIS 7622, Musk moskene solution, 1H-Indene, 2,3-dihydro-1,1,3,3,5-pentamethyl-4,6-dinitro-, 1,1,3,3,5-Pentamethyl-4,6-dinitroindan, 1,1,3,3,5-Pentamethyl-4,6-dinitrolindan, EINECS 204-149-4, NSC 60035, BRN 2163411, 1Q49IC9FAW, AI3-28025, 4,6-Dinitro-1,1,3,3,5-pentamethylindan, 4,6-Dinitro-1,1,3,3,5-pentamethylindane, Indan, 1,1,3,3,5-pentamethyl-4,6-dinitro-, Indan, 4,6-dinitro-1,1,3,3,5-pentamethyl-, 1,1,3,3,5-Pentamethyl-4,6-dinitro-2,3-dihydro-1H-indene, 1,1,3,3,5-pentamethyl-4,6-dinitro-2H-indene, Maybridge1_007103, AC1L26NB, AC1Q2EJ4, DSSTox_CID_24519, DSSTox_RID_80286, DSSTox_GSID_44519, Oprea1_114805, 4-05-00-01463 (Beilstein Handbook Reference), SCHEMBL651789, CHEMBL3188408, DTXSID6044519, CTK4A9930, HMS561K19, UHWURQRPEIFIAK-UHFFFAOYSA-N, NSC60035, ZINC1689955, Tox21_302237, CCG-50813, NSC-60035, AKOS024319064, MCULE-2227792888, 1,3,3,5-Pentamethyl-4,6-dinitroindan, NCGC00255930-01, 1,3,3,5-Pentamethyl-4,6-dinitrolindan, BP-10214, CAS-116-66-5, CJ-28054, LS-81092, OR322680, Indan,1,3,3,5-pentamethyl-4,6-dinitro-, FT-0629038, 1,1,3,3,5-Pentamethyl-4,6-dinitro-indane, 1,2,3,3,5-Pentamethyl-4,6-Dinitro-Indan, 1,1,3,3,5-PENTAMETHYL-4,6-DINITRO-INDAN, J-003468, SR-01000640158-1, Musk moskene (technical) 10 microg/mL in Cyclohexane, Indan, 1,1,3,3,5-pentamethyl-4,6-dinitro- (8CI), 1H-Indene,3-dihydro-1,1,3,3,5-pentamethyl-4,6-dinitro-, 1H-Indene,2,3-dihydro-1,1,3,3,5-pentamethyl-4,6-dinitro-, Musk moskene solution, 100 mug/mL in acetonitrile, analytical standard, C14H18N2O4, CID67005, C14-H18-N2-O4, 1,1,3,3,5 - pentamethyl - 4,6 - dinitroindan,

Complexity	435
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	278.127g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	278.308g/mol
Monoisotopic Mass	278.127g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	91.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H225-H302-H312-H319-H332
Packing Group	\N
Precautionary statements	P210-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number