Rizatriptan Impurity 14

CAT: 1596-AR-R11205-04Size: 100 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-R11205-04Size:100 Units

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

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CAS Number

4454-01-7

Molecular Formula

C13H28O4

Molecular Weight

248.36

API Name

Rizatriptan

Chemical Information

1,1,5,5-Tetraethoxypentane

CAS Number	4454-01-7
PubChem CID	12740266
IUPAC Name	1,1,5,5-tetraethoxypentane
Molecular Formula	C13H28O4
Molecular Weight	248.36
XLogP	2.5
Topological Polar Surface Area	36.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	12
Heavy Atom Count	17
Formal Charge	0
Complexity	124

SMILES

CCOC(CCCC(OCC)OCC)OCC

InChI

InChI=1S/C13H28O4/c1-5-14-12(15-6-2)10-9-11-13(16-7-3)17-8-4/h12-13H,5-11H2,1-4H3

InChIKey

JIQDXKKXHABQMX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4454-01-7

CID: 12740266

Formula: C13H28O4

MW: 248.36

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	248.36
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	12
Exact Mass	248.19875937
Monoisotopic Mass	248.19875937
Topological Polar Surface Area	36.9 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	124
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