Basic information
- CAS
91002-72-1- Standard SMILES
NC12CNCCNCC(N)(CNCCNC1)CNCCNC2- InChIKey
UQQQAKFVWNQYTP-UHFFFAOYSA-N- Molecular formula
- C14H34N8
- Average molar mass
- 314.47 g/mol
- Monoisotopic mass
- 314.29064312
Overview
structure given in first source; chelating agent, coordinate with metal being chelated
Names & identifiers
- Preferred name
- Diamsar chelate
- IUPAC
- 3,6,10,13,16,19-hexazabicyclo[6.6.6]icosane-1,8-diamine
- English name
- 3,6,10,13,16,19-Hexaazabicyclo(6.6.6)eicosane-1,8-diamine
- Molecular formula
- C14H34N8
- Molecular weight
- 314.47
Names & synonyms
Diamsar chelateDiamsar91002-72-1NH2-Sar-cagediamine-sarcophagineDTXSID602383621,8-Diamino-3,6,10,13,16,19-hexaazabicyclo(6,6,6)eicosaneRefChem:132649DTXCID801608533,6,10,13,16,19-hexazabicyclo[6.6.6]icosane-1,8-diamine3,6,10,13,16,19-Hexaazabicyclo[6.6.6]eicosane-1,8-diamine3,6,10,13,16,19-HEXAAZABICYCLO[6.6.6]ICOSANE-1,8-DIAMINE
Show more names
DiAmSar(M-190)1, 4, 7, 10-Tetrakis(carbamoylmethyl)-1, 4, 7, 10-tetraazacyclododecane
3,6,10,13,16,19-Hexaazabicyclo(6.6.6)eicosane-1,8-diamineC14H34N8SCHEMBL336591SCHEMBL19763310MFCD26131246
Database identifiers
- CAS
91002-72-1- PubChem CID
- 146286
- DTXSID
DTXSID60238362- Nikkaji
- J858.544J
Properties
Computed structural properties
- XLogP
- -4.9
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Boiling point
- 511.2 · 511.2±50.0 °C(Predicted)
- Density
- 0.993 · 0.993±0.06 g/cm3(Predicted)
- pka
- 10.05 · 10.05±0.60(Predicted)
Chemistry & industry
Suppliers10 total
陕西星贝爱科生物科技有限责任公司029-13572876172 13572876172 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
西安凯新生物科技有限公司029-68881181 13619217766 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
郑州阿尔法化工有限公司13333829863 13333829863 · [email protected]
Xian confluore Biological Technology Co., Ltd.+86-15680926068 · [email protected]
天津凯慕化学科技有限公司13116033142 13116033142 · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
西安康福诺生物科技有限公司+86-156-80926068 +86-15680926068 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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