3,3'-Diselenodipropionic acid
Completing data — refresh the page later to see the latest
Basic information
- CAS
7370-58-3- Standard SMILES
O=C(O)CC[Se][Se]CCC(=O)O- InChIKey
AXJLEYVRLPNPGF-UHFFFAOYSA-N- Molecular formula
- C6H10O4Se2
- Average molar mass
- 304.08 g/mol
- Monoisotopic mass
- 305.89095
Overview
a free radical scavenger; structure in first source
Names & identifiers
- Preferred name
- 3,3'-Diselenodipropionic acid
- IUPAC
- 3-(2-carboxyethyldiselanyl)propanoic acid
- English name
- 3,3'-Diselenobispropionic acid
- Molecular formula
- C6H10O4Se2
- Molecular weight
- 304.06
Names & synonyms
3,3'-Diselenodipropionic acidDSePA cpdRefChem:8696587370-58-3Diselenodipropionic acid3,3'-Diselanediyldipropanoic acidPROPIONIC ACID, 3,3'-DISELENODI-3,3'-Diselenobispropionic acidDiselenium-dipropionic acidBis(carboxyethyl) diselenidePropanoic acid, 3,3'-diselenobis-3-(2-carboxyethyldiselanyl)propanoic acid
Show more names
3',3-Diselenodipropionic acid2SP2QS73W9Diseleno-3,3'-dipropionic acid3,?3'-?Diselenobispropionic AcidBRN 1778850UNII-2SP2QS73W94-03-00-00753 (Beilstein Handbook Reference)SCHEMBL1976191
Database identifiers
- CAS
7370-58-3- PubChem CID
- 23837
- DTXSID
DTXSID40224006- ChEMBL
CHEMBL5572171- UNII
- 2SP2QS73W9
- EC Number
- 621-993-2
- Nikkaji
- J122.232E
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Melting point
- 134.5 · 134.5-135.5 °C
- Boiling point
- 493.1 · 493.1±55.0 °C(Predicted)
- pka
- 3.94 · 3.94±0.10(Predicted)
- InChI
- InChI=1S/C6H10O4Se2/c7-5(8)1-3-11-12-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)
- InChIKey
- AXJLEYVRLPNPGF-UHFFFAOYSA-N
- SMILES
- [Se](CCC(O)=O)[Se]CCC(O)=O
- FDA UNII
- 2 SP2QS73W9 · 2SP2QS73W9
- Symbol(GHS)
- 8 · GHS08,GHS09,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331-H373-H410
- Precautionary statements
- 273 · P273-P391-P501-P260-P314-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301+H311+H331 (100%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS09,GHS06
- Hazard statements
- H301+H311+H331-H373-H410
- Precautionary statements
- P273-P391-P501-P260-P314-P501
Chemistry & industry
Applications
Uses3,3'-Diselenobispropionic Acid is a promising multifunctional organoselenium compound exhibiting many important activities of biological relevance. It also performs a radioprotective function.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…