Imeglimin Ketone Impurity

CAT: 1596-AR-T05884-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-T05884-01Size:10 Units

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CAS Number

16491-66-0

Synonyms

4- (Dimethylamino) -6-methyl-1,3,5-triazin-2 (5H) -one

Molecular Formula

C6H10N4O

Molecular Weight

154.17

API Name

Tribenuron

Chemical Information

Azacitidine Impurity 88

CAS Number	16491-66-0
PubChem CID	137270083
IUPAC Name	4-(dimethylamino)-6-methyl-1H-1,3,5-triazin-2-one
Molecular Formula	C6H10N4O
Molecular Weight	154.17
XLogP	-0.7
Topological Polar Surface Area	57.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	241

SMILES

CC1=NC(=NC(=O)N1)N(C)C

InChI

InChI=1S/C6H10N4O/c1-4-7-5(10(2)3)9-6(11)8-4/h1-3H3,(H,7,8,9,11)

InChIKey

DHUMNRHBEGQEQK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16491-66-0

CID: 137270083

Formula: C6H10N4O

MW: 154.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	154.17
XLogP3	-0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	154.08546096
Monoisotopic Mass	154.08546096
Topological Polar Surface Area	57.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	241
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-I03357-01	Imeglimin Impurity 1
AR-M02244-01	Montelukast Ketone Impurity
AR-S02140-01	Sunitinib Ketone Impurity
AR-L06233-01	Lumateperone Ketone Impurity
AR-L06106-01	Loratadine Ketone Impurity
AR-N08126-01	Nalmefene ketone impurity
AR-E09574-01	Elsholtzia Ketone Impurity 1 (Naginata Ketone)
AR-I03355-01	Imeglimin HCl
AR-I03356-01	Imeglimin-d6
AR-F11166-01	Finerenone Ketone Impurity (Racemic)

Catalog	Name
RM-I258002-01	Imeglimin Impurity 2
RM-I258003-01	Imeglimin Impurity 3
RM-I258001-01	Imeglimin Impurity 1
IM111859-01	Montelukast ketone impurity
RM-S142012-01	Sunitinib Ketone Impurity
466681-01	Sunitinib Ketone Impurity discontinued
RM-M142001-01	Montelukast Sodium Impurity A; USP Montelukast Ketone Impurity
TRC-B207710-100MG	Benzo[b]thien-2-yl Ketone (Zileuton Impurity)
CS-O-60220	N-Nitroso Ritlecitinib Des Methyl Vinyl ketone Impurity
TRC-B207712-25MG	Benzo[b]thien-2-yl Ketone-D10(Zileuton Impurity)