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Irinotecan Impurity 7 HCl

CAT: 1596-AR-I01723-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-I01723-01Size:10 Units
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CAS Number
143254-82-4
Synonyms
[1,4'-bipiperidine]-1'-carbonylchloridehydrochloride
Molecular Formula
C11H19ClN2O. HCl
Molecular Weight
230.74 36.46
API Name
Irinotecan

Chemical Information

1-Chlorocarbonyl-4-piperidinopiperidine hydrochloride

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CAS Number143254-82-4
PubChem CID11637553
IUPAC Name4-piperidin-1-ylpiperidine-1-carbonyl chloride;hydrochloride
Molecular FormulaC11H20Cl2N2O
Molecular Weight267.19
Topological Polar Surface Area23.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity221
SMILES
C1CCN(CC1)C2CCN(CC2)C(=O)Cl.Cl
InChI
InChI=1S/C11H19ClN2O.ClH/c12-11(15)14-8-4-10(5-9-14)13-6-2-1-3-7-13;/h10H,1-9H2;1H
InChIKey
VBXXNCHZAMNCBX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Chlorocarbonyl-4-piperidinopiperidine hydrochloride
CAS: 143254-82-4
CID: 11637553
Formula: C11H20Cl2N2O
MW: 267.19
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight267.19
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass266.0952687
Monoisotopic Mass266.0952687
Topological Polar Surface Area23.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity221
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes