AG003IW6

873-95-0 | 3-Amino-5,5-dimethylcyclohex-2-enone

AG003IW6

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CAS Number	873-95-0
Catalog Number	AG003IW6(AGN-PC-0JMP0Q)
Chemical Name	3-Amino-5,5-dimethylcyclohex-2-enone
IUPAC Name	3-amino-5,5-dimethylcyclohex-2-en-1-one
InChI	InChI=1S/C8H13NO/c1-8(2)4-6(9)3-7(10)5-8/h3H,4-5,9H2,1-2H3
InChI Key	MTZNODTZOSBYJW-UHFFFAOYSA-N
MDL Number	MFCD00045531
Molecular Formula	C8H13NO
Molecular Weight	139.1949
NSC Number	176345
SMILES	NC(CC(C)(C)C1)=CC1=O
Synonyms	873-95-0, 3-Amino-5,5-dimethyl-2-cyclohexen-1-one, 3-amino-5,5-dimethylcyclohex-2-enone, 3-amino-5,5-dimethylcyclohex-2-en-1-one, 2-Cyclohexenone, 3-amino-5,5-dimethyl-, 5,5-Dimethyl-3-aminocyclohex-2-enone, 3-Amino-5,5-dimethyl-2-cyclohexene-1-one, NSC176345, PubChem14457, ACMC-209qk9, Oprea1_593220, SCHEMBL111923, AC1L391V, CHEMBL1958268, CTK3E9056, DTXSID70236278, MTZNODTZOSBYJW-UHFFFAOYSA-N, HMS1788H01, ANW-38695, BBL009376, MFCD00045531, SBB082967, STK727367, ZINC15980693, AKOS001115947, MCULE-4783504703, NE55341, NSC-176345, VZ26305, 1-amino- 5,5-dimethylcyclohexen-3-one, 1-Amino-5,5-dimethylcyclohexene-3-one, KS-0000152U, 2-Cyclohexenone,3-amino,5,5-dimethyl-, 3-Amino-5,5-dimethyl-cyclohex-2-enone, 1-amino- 5,5-dimethyl-cyclohexen-3-one, AJ-68056, SC-13256, DB-022231, TR-027351, 3-amino-5,5-dimethyl-2-cyclohexen- 1-one, A1300, FT-0614997, ST50984718, 3-AMINO 5,5-DIMETHYL-CYLCOHEX-2-ENONE, A10400, Z57154079, CID136680,

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	139.1g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	139.198g/mol
Monoisotopic Mass	139.1g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	43.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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