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DACN (Tos) hydrochloride

CAT: 0013-GTR19237631-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19237631-01Size:50 mg
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Description
DACN (Tos) hydrochloride is a cycloalkyne-based click chemistry reagent designed for strain-promoted azide-alkyne cycloaddition (SPAAC) . Its stable, reactive structure enables efficient bioconjugation for labeling biomolecules in both in vitro assays and in vivo imaging studies.
CAS Number
2331322-18-8
Smiles
Cl.O=S (=O) (C1=CC=C (C=C1) C) N2CC#CCNCCC2
Molecular Formula
C14H19ClN2O2S
Molecular Weight
314.83
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

DACN(Tos) hydrochloride
CAS Number2331322-18-8
PubChem CID164512776
IUPAC Name1-(4-methylphenyl)sulfonyl-1,5-diazacyclonon-7-yne;hydrochloride
Molecular FormulaC14H19ClN2O2S
Molecular Weight314.8
Topological Polar Surface Area57.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity447
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CCCNCC#CC2.Cl
InChI
InChI=1S/C14H18N2O2S.ClH/c1-13-5-7-14(8-6-13)19(17,18)16-11-3-2-9-15-10-4-12-16;/h5-8,15H,4,9-12H2,1H3;1H
InChIKey
GTZOSSXITQXUOW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DACN(Tos) hydrochloride
CAS: 2331322-18-8
CID: 164512776
Formula: C14H19ClN2O2S
MW: 314.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass314.0855767
Monoisotopic Mass314.0855767
Topological Polar Surface Area57.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity447
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

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T87927-01DACN (Tos, Mal)
HY-151766DACN (Tos, Suc-OH)
T89717-01DACN (Tos, Suc-NHS)
HY-151770DACN(Tos,Suc-NHS)
HY-151794DACN (Ms) (hydrochloride)
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