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N3-CMC

CAT: 0013-GTR19280503-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19280503-01Size:10 mg
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Description
N3-CMC is a click chemistry reagent. This compound contains an azide group, enabling it to undergo a strain-promoted alkyne-azide cycloaddition reaction (SPAAC) with molecules carrying DBCO or BCN groups. Additionally, N3-CMC can participate in a copper-catalyzed azide-alkyne cycloaddition reaction (CuAAc) with alkyne-containing molecules. It also reacts specifically with RNA containing pseudouridine (Ψ), allowing biotin to be conjugated via click chemistry to the N3-CMC-Ψ RNA, facilitating the quantitative analysis of Ψ's dynamic changes.
CAS Number
1801187-61-0
Smiles
S (=O) (=O) ([O-]) C1=CC=C (C) C=C1.C (CN=C=N[C@H]1CC[C@@H] (N=[N+]=[N-]) CC1) [N+]2 (C) CCOCC2
Molecular Formula
C21H32N6O4S
Molecular Weight
464.59
Notes
For research use only.

Chemical Information

4-Methyl-4-(2-(((((1s,4s)-4-azidocyclohexyl)imino)methylidene)amino)ethyl)morpholin-4-ium 4-methylbenzene-1-sulfonate
CAS Number1801187-61-0
PubChem CID91758730
IUPAC NameN'-(4-azidocyclohexyl)-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]methanediimine;4-methylbenzenesulfonate
Molecular FormulaC21H32N6O4S
Molecular Weight464.6
Topological Polar Surface Area114
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity618
SMILES
CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(CCOCC1)CCN=C=NC2CCC(CC2)N=[N+]=[N-]
InChI
InChI=1S/C14H25N6O.C7H8O3S/c1-20(8-10-21-11-9-20)7-6-16-12-17-13-2-4-14(5-3-13)18-19-15;1-6-2-4-7(5-3-6)11(8,9)10/h13-14H,2-11H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKey
YXSXASYTJMFBOJ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of 4-Methyl-4-(2-(((((1s,4s)-4-azidocyclohexyl)imino)methylidene)amino)ethyl)morpholin-4-ium 4-methylbenzene-1-sulfonate
CAS: 1801187-61-0
CID: 91758730
Formula: C21H32N6O4S
MW: 464.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight464.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass464.22057470
Monoisotopic Mass464.22057470
Topological Polar Surface Area114 Ų
Heavy Atom Count32
Formal Charge0
Complexity618
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