AG003IUG

5220-49-5 | 3-AMinocyclohex-2-enone

AG003IUG

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CAS Number	5220-49-5
Catalog Number	AG003IUG(AGN-PC-0JLRNY)
Chemical Name	3-AMinocyclohex-2-enone
EC Number	226-014-9
IUPAC Name	3-aminocyclohex-2-en-1-one
InChI	InChI=1S/C6H9NO/c7-5-2-1-3-6(8)4-5/h4H,1-3,7H2
InChI Key	ZZMRPOAHZITKBV-UHFFFAOYSA-N
MDL Number	MFCD00013783
Molecular Formula	C6H9NO
Molecular Weight	111.1418
NSC Number	106700
SMILES	NC(CCC1)=CC1=O
UNII	V596547ZKE
Synonyms	3-Amino-2-cyclohexen-1-one, 5220-49-5, 3-aminocyclohex-2-enone, 3-Aminocyclohex-2-en-1-one, 2-Cyclohexen-1-one, 3-amino-, UNII-V596547ZKE, 3-amino-2-cyclohexen-1-ketone, 3-Amino-2-cyclohexenone, ZZMRPOAHZITKBV-UHFFFAOYSA-N, V596547ZKE, MFCD00013783, 3-Amino-2-cyclohexen-1-one, 95%, EINECS 226-014-9, 3-Aminocyclohexenone, NSC106700, 3-aminocyclohex-enone, PubChem14449, ACMC-209kyd, 1-amino-cyclohexen-3-one, 3-Amino-cyclohex-2-enone, AC1L2W6S, 1-amino- cyclohexen-3-one, KSC495Q9B, 1-Aminocyclohex-1-en-3-one, SCHEMBL355337, 3-amino-2-cyclohexene-1-one, 1-Amino-3-oxocyclohex-1-ene, AC1Q51K8, CHEMBL443918, CTK3J5890, KS-00000KVW, DTXSID40200244, HMS1763A08, BCP19985, STR05393, ANW-31427, GEO-00109, SBB028190, STK336070, ZINC18200963, 3-Amino-2-cyclohexen-1-one, 99%, AKOS000280641, MCULE-3362548403, NSC-106700, RP00527, RTC-069761, TRA0042155, VZ26253, AJ-70464, AK-49851, BR-49851, CJ-15861, EN002351, L472, SC-18537, AB0014724, DB-022193, ST2404906, TC-069761, TL8003446, CS-0032855, FT-0083426, FT-0614931, ST50410742, EN300-17259, S-1945, 1R-1064, I05-0314, J-511685, Z56899207, C6H9NO, 3-Amino-2-cyclohexane-1-one, C6-H9-N-O, ACN-S004792, CID78892, A1936, 3-Amino-2-cyclohexen-1-one, 98% - 5G 5g, A20652,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	111.068g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	111.144g/mol
Monoisotopic Mass	111.068g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	43.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number