Nicorandil Impurity 11

CAT: 1596-AR-N08568-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-N08568-01Size:10 Units

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CAS Number

149415-43-0

Synonyms

N, N-bis (2-hydroxyethyl) nicotinamide

Molecular Formula

C13H9ClN2O4

Molecular Weight

210.23

API Name

Nicorandil

Chemical Information

N,N-Bis(2-hydroxyethyl)pyridine-3-carboxamide

CAS Number	149415-43-0
PubChem CID	53715389
IUPAC Name	N,N-bis(2-hydroxyethyl)pyridine-3-carboxamide
Molecular Formula	C10H14N2O3
Molecular Weight	210.23
XLogP	-1.8
Topological Polar Surface Area	73.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	15
Formal Charge	0
Complexity	193

SMILES

C1=CC(=CN=C1)C(=O)N(CCO)CCO

InChI

InChI=1S/C10H14N2O3/c13-6-4-12(5-7-14)10(15)9-2-1-3-11-8-9/h1-3,8,13-14H,4-7H2

InChIKey

CDKFLTUOBAPNKV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 149415-43-0

CID: 53715389

Formula: C10H14N2O3

MW: 210.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	210.23
XLogP3	-1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	210.10044231
Monoisotopic Mass	210.10044231
Topological Polar Surface Area	73.7 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	193
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-N01394-01	Nicorandil EP Impurity A (p-Nicorandil)
AR-N08546-01	Nicorandil Impurity 21
AR-N08566-01	Nicorandil Impurity 39
AR-N08549-01	Nicorandil Impurity 24
AR-N08553-01	Nicorandil Impurity 28
AR-N08986-01	Nicorandil Impurity 9
AR-N01402-01	Nicorandil Impurity 5
AR-N08535-01	Nicorandil Impurity 6
AR-N08538-01	Nicorandil Impurity 10
AR-N08539-01	Nicorandil Impurity 12

Catalog	Name
RM-N031840-01	Nicorandil Impurity 14 (Nicorandil Trimer)
RM-N031831-01	Nicorandil Impurity 5
RM-N031830-01	Nicorandil Impurity 4
RM-N031885-01	Nicorandil Impurity 58
RM-N031883-01	Nicorandil Impurity 56
RM-N031898-01	Nicorandil Impurity 70
RM-N031880-01	Nicorandil Impurity 53
RM-N031853-01	Nicorandil Impurity 27
RM-N031854-01	Nicorandil Impurity 28
RM-N031866-01	Nicorandil Impurity 39