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Plerixafor Impurity 7

CAT: 1299-RM-P122433-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P122433-01Size:10 mg
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CAS Number
295-37-4
Synonyms
1,4,8,11-tetraazacyclotetradecane
Molecular Formula
C10H24N4
Molecular Weight
200.33
Target Alternative Name
Plerixafor
Product Name Synonym
1,4,8,11-tetraazacyclotetradecane

Chemical Information

1,4,8,11-Tetraazacyclotetradecane

1,4,8,11-tetraazacyclotetradecane is a saturated organic heteromonocyclic parent, a crown amine and an azacycloalkane. It derives from a hydride of a cyclotetradecane.

CAS Number295-37-4
PubChem CID64964
IUPAC Name1,4,8,11-tetrazacyclotetradecane
Molecular FormulaC10H24N4
Molecular Weight200.32
XLogP-1.6
Topological Polar Surface Area48.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity92
SMILES
C1CNCCNCCCNCCNC1
InChI
InChI=1S/C10H24N4/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1/h11-14H,1-10H2
InChIKey
MDAXKAUIABOHTD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4,8,11-Tetraazacyclotetradecane
CAS: 295-37-4
CID: 64964
Formula: C10H24N4
MW: 200.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight200.32
XLogP3-1.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass200.20009678
Monoisotopic Mass200.20009678
Topological Polar Surface Area48.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity92.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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