Biotinylamidoethylacetamide
Basic information
- CAS
111790-37-5- Standard SMILES
NCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21- InChIKey
BNCJEZWKLUBUBB-QXEWZRGKSA-N- Molecular formula
- C12H22N4O2S
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.14634713
Names & identifiers
- Preferred name
- Biotinylamidoethylacetamide
- IUPAC
- 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(2-aminoethyl)pentanamide
- English name
- biotinylamidoethylacetamide
- Molecular formula
- C12H22N4O2S
- Molecular weight
- 286.39
Names & synonyms
111790-37-5BiotinylamidoethylacetamideBAEARefChem:119894N-(2-Aminoethyl)biotinamideBiotin-EDAN-(2-Aminoethyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamideMFCD098399055-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(2-aminoethyl)pentanamideC12H22N4O2SAS-47006HY-130893
Show more names
EDBiotinBiotin-EABiotin-EDA HClCAS_111790-37-5(+)-Biotin-amineBiotin-EthylamineN-Biotinyl Ethylenediamine
1H-Thieno(3,4-d)imidazole-4-pentanamide, N-(2-aminoethyl)hexahydro-3-oxo-, (3aS,4S,6aR)-N-(2-Aminoethyl)-5-(2-hydroxy-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl)pentanimidic acidbiotinylethylenediamineBNCJEZWKLUBUBB-QXEWZRGKSA-NN-(2-aminoethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamideBiotin Impurity 38Biotin-EDA, HCl salt(+)-Biotinyl ethylamine
Database identifiers
- CAS
111790-37-5- PubChem CID
- 83901
- DTXSID
DTXSID90920566- Nikkaji
- J945.607D
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Melting point
- 172 · 172-174°C
- Boiling point
- 643.7 · 643.7±50.0 °C(Predicted)
- Density
- 1.189 · 1.189±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Keep in dark place,Sealed in dry,2-8°C
- form
- solid
- pka
- 13.9 · 13.90±0.40(Predicted)
- color
- Pale yellow
- InChI
- InChI=1S/C12H22N4O2S/c13-5-6-14-10(17)4-2-1-3-9-11-8(7-19-9)15-12(18)16-11/h8-9,11H,1-7,13H2,(H,14,17)(H2,15,16,18)/t8-,9-,11-/m0/s1
- InChIKey
- BNCJEZWKLUBUBB-QXEWZRGKSA-N
- SMILES
- C1(=O)N[C@]2([H])[C@H](CCCCC(NCCN)=O)SC[C@]2([H])N1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 280 · P280-P302+P352-P271
- HS Code
- 2933998090 · 2933998090
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
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P280-P302+P352-P271
Chemistry & industry
Applications
DescriptionBiotin-EDA is a biotinylated compound that enables simple biotinylation of antibodies, proteins and any other carboxyl-containing biomolecules. The primary amine group of this reagent can react with moieties such as -NHS, -COOH to form stable, irreversible amide bonds.
UsesN-(2-Aminoethyl)biotinamide Hydrochloride is a derivative of Biotin (B389040) which is a growth factor present in minute amounts in every living cell.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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