Basic information
- CAS
112193-77-8- Standard SMILES
C1CNCCNCCNCCN1.O=S(=O)(O)O- InChIKey
VKWLPPSMIINPDP-UHFFFAOYSA-N- Molecular formula
- C8H22N4O4S
- Average molar mass
- 270.35 g/mol
- Monoisotopic mass
- 270.13617637
Names & identifiers
- Preferred name
- Sulfuric acid--1,4,7,10-tetraazacyclododecane (1/1)
- IUPAC
- sulfuric acid;1,4,7,10-tetrazacyclododecane
- English name
- CYCLEN SULFATE (1:2) 95
- Molecular formula
- C8H22N4O4S
- Molecular weight
- 270.35
Names & synonyms
DTXSID40602345877035-39-7Sulfuric acid--1,4,7,10-tetraazacyclododecane (1/1)RefChem:382687DTXCID005531021,4,7,10-tetraazacyclododecane; sulfuric acidSCHEMBL8300104cyclen sulfate (1:2)CYCLEN SULFATE (1:2) 951,4,7,10-tetraazacyclododecane sulfate1,4,7,10-tetraazacyclododecane disulfateGadobutrol Impurity 37 (Cyclen Disulfate)
Show more names
1,4,7,10-tetraazacyclododecane sulfate (1:2)1,4,7,10-TETRAAZONIACYCLODODECAANBIS(SULFAAT)
Database identifiers
- CAS
112193-77-8、877035-39-7- PubChem CID
- 20095987
- DTXSID
DTXSID40602345
Properties
Computed structural properties
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 146
Physicochemical properties
- Melting point
- 240 °C · 240 °C (dec.)(lit.)
- EWG's Food Scores
- 1 · 1-2
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318-H335-H412
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-P273-P501
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-37-41-52/53
- Safety Statements
- 26 · 26-36/37/39-61
- REACH Registrations
- Inactive
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
- risk_code
- 22-37-41-52/53
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39-61
- Hazard statements
- H302-H318-H335-H412
- REACH Registrations
- Inactive
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-P273-P501
Chemistry & industry
Suppliers5 total
济南百隆化学有限公司[email protected] · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…