Avanafil Impurity 45

CAT: 1596-AR-A07515-06Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A07515-06Size:250 Units

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CAS Number

59566-45-9

Molecular Formula

C6H5N3

Molecular Weight

119.13

API Name

Avanafil

Chemical Information

(Pyrimidin-2-yl)acetonitrile

CAS Number	59566-45-9
PubChem CID	15264944
IUPAC Name	2-pyrimidin-2-ylacetonitrile
Molecular Formula	C6H5N3
Molecular Weight	119.12
XLogP	-0.1
Topological Polar Surface Area	49.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	118

SMILES

C1=CN=C(N=C1)CC#N

InChI

InChI=1S/C6H5N3/c7-3-2-6-8-4-1-5-9-6/h1,4-5H,2H2

InChIKey

LNWCUVURNLRARG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 59566-45-9

CID: 15264944

Formula: C6H5N3

MW: 119.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	119.12
XLogP3	-0.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	119.048347172
Monoisotopic Mass	119.048347172
Topological Polar Surface Area	49.6 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	118
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
RM-A164101-01	Avanafil Impurity A
RM-A164108-01	Avanafil Impurity H (R-Avanafil)
RM-A164183-01	Avanafil Impurity 57
RM-A164147-01	Avanafil Impurity 21
RM-A164245-01	Avanafil Impurity 117
RM-A164244-01	Avanafil Impurity 116
RM-A164263-01	Avanafil Impurity 135
RM-A164149-01	Avanafil Impurity 23
RM-A164118-01	Avanafil Impurity R
RM-A164196-01	Avanafil Impurity 70