Basic information
- CAS
1187176-56-2- Standard SMILES
O=C(O)CN1CCN(Cc2cccc[n+]2[O-])CCN(CC(=O)O)CCN(Cc2cccc[n+]2[O-])CC1- InChIKey
RXPIRPIYDSVSOO-UHFFFAOYSA-N- Molecular formula
- C24H34N6O6
- Average molar mass
- 502.6 g/mol
- Monoisotopic mass
- 502.25398283
Names & identifiers
- Preferred name
- 4,10-Bis[(1-oxido-2-pyridinyl)methyl]-1,4,7,10-tetraazacyclododecane-1,7-diacetic Acid
- IUPAC
- 2-[7-(carboxymethyl)-4,10-bis[(1-oxidopyridin-1-ium-2-yl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
- English name
- 4,10-Bis[(1-oxido-2-pyridinyl)Methyl]-1,4,7,10-tetraazacyclododecane-1,7-diacetic Acid
- Molecular formula
- C24H34N6O6
- Molecular weight
- 502.56
Names & synonyms
1187176-56-24,10-Bis[(1-oxido-2-pyridinyl)methyl]-1,4,7,10-tetraazacyclododecane-1,7-diacetic Acid2-[7-(carboxymethyl)-4,10-bis[(1-oxidopyridin-1-ium-2-yl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid4,10-Bis((1-oxido-2-pyridinyl)methyl)-1,4,7,10-tetraazacyclododecane-1,7-diacetic AcidDTXSID40747184DB-2528992,2'-{4,10-Bis[(1-oxo-1lambda~5~-pyridin-2-yl)methyl]-1,4,7,10-tetraazacyclododecane-1,7-diyl}diacetic acid1,4,7,10-Tetraazacyclododecane-1,7-diaceticacid, 4,10-bis[(1-oxido-2-pyridinyl)methyl]-
Database identifiers
- CAS
1187176-56-2- PubChem CID
- 71314101
- DTXSID
DTXSID40747184- Nikkaji
- J3.380.919K
Properties
Computed structural properties
- XLogP
- -6.3
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 615
Physicochemical properties
- solubility
- Dimethylformamide, DMSO
- form
- Solid
- color
- Light Brown
Chemistry & industry
Applications
UsesPrecursor to chelating agents.
Suppliers5 total
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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