Ruxolitinib Impurity 47

CAT: 1596-AR-R11776-01Size: 10 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-R11776-01Size:10 Units

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1270424-30-0

Molecular Formula

C8H14N2

Molecular Weight

138.21

API Name

Ruxolitinib

Chemical Information

3-Amino-3-cyclopentylpropanenitrile

CAS Number	1270424-30-0
PubChem CID	55294873
IUPAC Name	3-amino-3-cyclopentylpropanenitrile
Molecular Formula	C8H14N2
Molecular Weight	138.21
XLogP	0.9
Topological Polar Surface Area	49.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	139

SMILES

C1CCC(C1)C(CC#N)N

InChI

InChI=1S/C8H14N2/c9-6-5-8(10)7-3-1-2-4-7/h7-8H,1-5,10H2

InChIKey

PZWHYDFIWJEXCL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1270424-30-0

CID: 55294873

Formula: C8H14N2

MW: 138.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	138.21
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	138.115698455
Monoisotopic Mass	138.115698455
Topological Polar Surface Area	49.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	139
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-R11758-01	Ruxolitinib Impurity 27
AR-R11761-01	Ruxolitinib Impurity 33
AR-R11770-01	Ruxolitinib Impurity 41
AR-R11778-01	Ruxolitinib impurity 49
AR-R11777-01	Ruxolitinib Impurity 48
AR-R11823-01	Ruxolitinib Diamine Impurity
AR-R11741-01	Ruxolitinib Impurity 15
AR-R11751-01	Ruxolitinib Impurity 24
AR-R11771-01	Ruxolitinib Impurity 42
AR-R11779-01	Ruxolitinib Impurity 50

Catalog	Name
RM-R241201-01	Ruxolitinib Impurity A (Ruxolitinib Enantiomer)
HY-W059210-01	Ruxolitinib impurity-1
IR181198-01	Ruxolitinib Impurity 5
RM-R241207-01	Ruxolitinib Impurity G
RM-R241244-01	Ruxolitinib Impurity 34
RM-R241211-01	Ruxolitinib Impurity 2
RM-R241212-01	Ruxolitinib Impurity 3
RM-R241231-01	Ruxolitinib Impurity 22
RM-R241233-01	Ruxolitinib Impurity 24
RM-R241235-01	Ruxolitinib Impurity 26