Basic information
- CAS
39085-66-0- Standard SMILES
CCCCN.CCCCN.O=S(=O)(O)O- InChIKey
KCFKHWSNVPJBEP-UHFFFAOYSA-N- Molecular formula
- C8H24N2O4S
- Average molar mass
- 244.36 g/mol
- Monoisotopic mass
- 244.14567842
Names & identifiers
- Preferred name
- sulfuric acid, di(butylamine) salt
- IUPAC
- bis(butan-1-amine);sulfuric acid
Names & synonyms
Sulfuric acid, di(butylamine) saltn-Butyl-ammonium sulfateButylamine, sulfate (2:1)39085-66-0RefChem:889781813-327-6SCHEMBL537120DTXSID40959902Sulfuric acid--butan-1-amine (1/2)
Database identifiers
- CAS
39085-66-0- PubChem CID
- 217637
- DTXSID
DTXSID40959902- EC Number
- 813-327-6
Properties
Computed structural properties
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 94.4
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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