Basic information
- CAS
94042-68-9- Standard SMILES
CCN(CC)c1ccc(N)cc1.O=S=O- InChIKey
OCFDZBIXWHCPNV-UHFFFAOYSA-N- Molecular formula
- C10H16N2O2S
- Average molar mass
- 228.31 g/mol
- Monoisotopic mass
- 228.09324893
Names & identifiers
- Preferred name
- Einecs 301-733-1
- IUPAC
- 4-N,4-N-diethylbenzene-1,4-diamine;sulfur dioxide
Names & synonyms
EINECS 301-733-194042-68-9N,N-Diethylbenzene-p-diamine, compound with sulphur dioxideNSC163073SCHEMBL6515046DTXSID30240351AKOS024322964NSC-16307394096-24-9N~1~,N~1~-diethyl-1,4-benzenediamine compound with oxosulfane oxide (1:1)N~1~,N~1~-Diethylbenzene-1,4-diamine--dioxo-lambda~4~-sulfane (1/1)
Database identifiers
- CAS
94042-68-9、94096-24-9- PubChem CID
- 294497
- DTXSID
DTXSID30240351- EC Number
- 119-513-7、301-733-1
Properties
Computed structural properties
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 131
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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