5-(Biotinamido)pentylamine
Basic information
- CAS
115416-38-1- Standard SMILES
NCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21- InChIKey
CCSGGWGTGOLEHK-OBJOEFQTSA-N- Molecular formula
- C15H28N4O2S
- Average molar mass
- 328.5 g/mol
- Monoisotopic mass
- 328.19329732
Names & identifiers
- Preferred name
- 5-(Biotinamido)pentylamine
- IUPAC
- 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(5-aminopentyl)pentanamide
- English name
- 5-(Biotinamido)pentylamine
- Molecular formula
- C15H28N4O2S
- Molecular weight
- 328.47
Names & synonyms
5-(Biotinamido)pentylamine115416-38-1Biotinyl cadaverineBiotincadaverine5-biotinamidopentylamineN-(biotiyl)cadaverineDTXSID501510961H-Thieno(3,4-d)imidazole-4-pentanamide, N-(5-aminopentyl)hexahydro-2-oxo-, (3aS-(3aalpha,4beta,6aalpha))-RefChem:101755DTXCID5073587N-(5-Aminopentyl)biotinamideMFCD00216002
Show more names
Biotin-NH2Biotin-C5-AmineN-Biotinyl-1,5-pentanediamine5-(Biotinamido)pentylamine nTFABiotin-C5-Amine,5-(Biotinamido)pentylamine5(Biotinamido)pentylamine,5 (Biotinamido)pentylamine
N-(5-Aminopentyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(5-aminopentyl)pentanamideN-(5-aminopentyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamideC15H28N4O2SBiotin Cadaverine1H-Thieno(3,4-d)imidazole-4-pentanamide, N-(5-aminopentyl)hexahydro-2-oxo-, (3aS,4S,6aR)-Cadaverine-X-biotin(3aS,4S,6aR)-N-(5-Aminopentyl)hexahydro-2-oxo-thieno[3,4-d]imidazole-4-pentanamide
Database identifiers
- CAS
115416-38-1- PubChem CID
- 83906
- DTXSID
DTXSID50151096- ChEMBL
CHEMBL4442290- Nikkaji
- J678.269H
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 381
Physicochemical properties
- Melting point
- 122 °C · 122 °C
- Boiling point
- 652 · 652.0±50.0 °C(Predicted)
- Density
- 1.131 · 1.131±0.06 g/cm3(Predicted)
- solubility
- 100 mg/mL · DMSO : 100 mg/mL (304.44 mM; Need ultrasonic)
- pka
- 13.9 · 13.90±0.40(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HS Code
- 2934999090 · 2934999090
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
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
UsesReagent used in the preparation of a variety of biotin derivatives.
UsesIodoacetyl LC biotin, amine and sulfhydryl reactive biotinylation reagent
Related reactions
1 records
Compound notes
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