ChemicalBook--->CAS DataBase List--->1450754-37-6

1450754-37-6

1450754-37-6 Structure

1450754-37-6 Structure
IdentificationBack Directory
[Name]

3-(3-(But-3-yn-1-yl)-3H-diazirin-3-yl)propanoic acid
[CAS]

1450754-37-6
[Synonyms]

Pr-DiAz-COOH
Alkyne-Diazirine-COOH
3-(3-(BUT-3-YN-1-YL)-3H-DIAZIRIN-3-YL)
3-(3-Butyn-1-yl)-3H-diazirine-3-propanoic acid
3H-Diazirine-3-propanoic acid, 3-(3-butyn-1-yl)-
3-?(3-?(But-?3-?yn-?1-?yl)?-?3H-?diazirin-?3-?yl)?
3-[3-(3-Butyn-1-yl)-3H-diazirin-3-yl]propanoic Acid
3-(3-(But-3-yn-1-yl)-3H-diazirin-3-yl)propanoic acid
[EINECS(EC#)]

817-943-6
[Molecular Formula]

C8H10N2O2
[MDL Number]

MFCD31433997
[MOL File]

1450754-37-6.mol
[Molecular Weight]

166.18
Chemical PropertiesBack Directory
[Boiling point ]

287.2±36.0 °C(Predicted)
[density ]

1.17±0.1 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
[form ]

Solid-Liquid Mixture
[pka]

4.55±0.10(Predicted)
[color ]

Off-white to light yellow
[InChI]

InChI=1S/C8H10N2O2/c1-2-3-5-8(9-10-8)6-4-7(11)12/h1H,3-6H2,(H,11,12)
[InChIKey]

JRNSKSYASHYNCM-UHFFFAOYSA-N
[SMILES]

N1C(CCC#C)(CCC(O)=O)N=1
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS02
[Signal word ]

Danger
[Hazard statements ]

H242
[Precautionary statements ]

P210-P234-P235-P240-P370+P378-P403
[WGK Germany ]

WGK 3
[Storage Class]

5.2 - Organic peroxides and self-reacting hazardous materials
[Hazard Classifications]

Self-react. C
Hazard InformationBack Directory
[Uses]

Used for chemical probe synthesis, this trifunctional building block contains a light-activated diazirine, alkyne tag, and carboxylic acid synthetic handle. When appended to a ligand or pharmacophore through its acid linker, this building block allows for UV light-induced covalent modification of a biological target with potential for downstream applications via the alkyne tag. Use alone or in parallel with other multi-functional building blocks to discover the optimal probe for your chemical biology experiments.
[reaction suitability]

reaction type: click chemistry
Spectrum DetailBack Directory
[Spectrum Detail]

3-(3-(But-3-yn-1-yl)-3H-diazirin-3-yl)propanoic acid(1450754-37-6)1HNMR
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