N-(1R,8S,9s)-Bicyclo[6.1.0]non-4-yn-9-ylMethyloxycarbonyl-1,8-diaMino-3,6-dioxaoctane

HCID 178592425

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Basic information

CAS: 1263166-93-3
Standard SMILES: COC(=O)C(COCCOCCN)NC1C2CCC#CCCC21
InChIKey: GJZGRRKLPANLGK-UHFFFAOYSA-N
Molecular formula: C17H28N2O4
Average molar mass: 324.42 g/mol

Names & identifiers

Preferred name: N-(1R,8S,9s)-Bicyclo[6.1.0]non-4-yn-9-ylMethyloxycarbonyl-1,8-diaMino-3,6-dioxaoctane
English name: N-(1R,8S,9s)-Bicyclo[6.1.0]non-4-yn-9-ylMethyloxycarbonyl-1,8-diaMino-3,6-dioxaoctane
Molecular formula: C17H28N2O4
Molecular weight: 324.42

Names & synonyms

endo-BCN-PEG2-NH2BCN-amineBCN-PEG3-NH2BCN-POE3-NH2BCN-POE3-amineCAS_1263166-93-3BCN-endo-PEG2-NH2ndo-BCN-PEG2-amine(1α,8α,9β)-Bicyclo[6.1.0]non-4-yn-9-ylmethyl?N-[2-[2-(2-aminoethoxy)ethoxy]ethyl…N-(1R,8S,9s)-Bicyclo[6.1.0]non-4-yn-9-ylMethyloxycarbonyl-1,8-diaMino-3,6-dioxaoctane

Database identifiers

CAS: 1263166-93-3

Properties

Physicochemical properties

Boiling point: 487.1 · 487.1±30.0 °C(Predicted)
Density: 1.14 · 1.14±0.1 g/cm3(Predicted)
storage temp.: -20 °C · -20°C
solubility: Soluble in Water, DMSO, DCM, DMF
pka: 12.05 · 12.05±0.46(Predicted)
form: clear liquid
color: Light yellow to Yellow to Orange
InChI: InChI=1S/C17H28N2O4/c1-21-17(20)15(12-23-11-10-22-9-8-18)19-16-13-6-4-2-3-5-7-14(13)16/h13-16,19H,4-12,18H2,1H3
InChIKey: GJZGRRKLPANLGK-UHFFFAOYSA-N
SMILES: C(N)COCCOCC(C(OC)=O)NC1C2C1CCC#CCC2
UNSPSC Code: 12352003 · 12352003
NACRES: 22 · NA.22
WGK Germany: 3 · 3
HS Code: 2924.29 · 2924.29.9500
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

wgk: 3
hs_code: 2924.29.9500
Storage Class: 10 - Combustible liquids

Chemistry & industry

Applications · 2 items

Descriptionendo-BCN-PEG2-amine is a heterobifunctional PEG linker containing a BCN and an amine group. The BCN group can react with azide-tagged molecules. The amino group is reactive with carboxylic acids, activated NHS esters, carbonyls (ketone, aldehyde) etc.

UsesAmine functionalized cyclooctyne derivative. Cyclooctynes are useful in strain-promoted copper-free azide-alkyne cycloaddition reactions. This strained cyclooctyne will react with azide functionalized compounds or biomolecules without the need for a copper catalyst to result in a stable triazole linkage.

Suppliers56 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

韶远科技(上海)有限公司4000665055 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

浙江博美生物技术有限公司0573-82623377 18967387295 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

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