Imeglimin Impurity 1

CAT: 1596-AR-I03357-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-I03357-01Size:10 Units

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CAS Number

21320-31-0

Synonyms

N2, N2,6-Trimethyl-1,3,5-triazine-2,4-diamine

Molecular Formula

C6H11N5

Molecular Weight

153.19

API Name

Imeglimin

Chemical Information

Emd-90076

CAS Number	21320-31-0
PubChem CID	592622
IUPAC Name	2-N,2-N,6-trimethyl-1,3,5-triazine-2,4-diamine
Molecular Formula	C6H11N5
Molecular Weight	153.19
XLogP	0.5
Topological Polar Surface Area	67.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	126

SMILES

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

InChI

InChI=1S/C6H11N5/c1-4-8-5(7)10-6(9-4)11(2)3/h1-3H3,(H2,7,8,9,10)

InChIKey

DUAYDERMVQWIJD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21320-31-0

CID: 592622

Formula: C6H11N5

MW: 153.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	153.19
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	153.10144537
Monoisotopic Mass	153.10144537
Topological Polar Surface Area	67.9 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	126
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-T05884-01	Imeglimin Ketone Impurity
AR-I03355-01	Imeglimin HCl
AR-I03356-01	Imeglimin-d6
AR-I03354-01	Rac-Imeglimin
AR-I03358-01	N-Nitroso Imeglimin
AR-B01168-01	Benidipine Impurity 5 (Nifedipine Impurity 1)
AR-N01491-01	Nifedipine Impurity 1 (Benidipine Impurity 5)
AR-E10592-01	MTBE Impurity 1 and MTBE Impurity 2
AR-L07287-01	Limonene Impurity 1
AR-L01665-01	Limaprost Impurity 1