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CAY10703

CAT: 0013-GTR19190692-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19190692-01Size:1 mg
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Description
CAY10703
CAS Number
1841421-67-7
Field of Research
Cell Biology
Smiles
N (CCNC (C (Cl) Cl) =O) (CCNC (C (Cl) Cl) =O) CCNC (C (Cl) Cl) =O
Molecular Formula
C12H18Cl6N4O3
Molecular Weight
479.01
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(2-{bis[2-(2,2-dichloroacetamido)ethyl]amino}ethyl)-2,2-dichloroacetamide
CAS Number1841421-67-7
PubChem CID125181255
IUPAC NameN-[2-[bis[2-[(2,2-dichloroacetyl)amino]ethyl]amino]ethyl]-2,2-dichloroacetamide
Molecular FormulaC12H18Cl6N4O3
Molecular Weight479.0
XLogP2.2
Topological Polar Surface Area90.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Heavy Atom Count25
Formal Charge0
Complexity377
SMILES
C(CN(CCNC(=O)C(Cl)Cl)CCNC(=O)C(Cl)Cl)NC(=O)C(Cl)Cl
InChI
InChI=1S/C12H18Cl6N4O3/c13-7(14)10(23)19-1-4-22(5-2-20-11(24)8(15)16)6-3-21-12(25)9(17)18/h7-9H,1-6H2,(H,19,23)(H,20,24)(H,21,25)
InChIKey
CXWSCUTUXVKDSD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-{bis[2-(2,2-dichloroacetamido)ethyl]amino}ethyl)-2,2-dichloroacetamide
CAS: 1841421-67-7
CID: 125181255
Formula: C12H18Cl6N4O3
MW: 479.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight479.0
XLogP32.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass477.948056
Monoisotopic Mass475.951007
Topological Polar Surface Area90.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity377
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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