Basic information
- CAS
35777-35-6- Standard SMILES
CCN(CS(=O)(=O)c1ccc(C)cc1)CS(=O)(=O)c1ccc(C)cc1- InChIKey
QUVOXOIEHSGNAH-UHFFFAOYSA-N- Molecular formula
- C18H23NO4S2
- Average molar mass
- 381.5 g/mol
- Monoisotopic mass
- 381.10685056
Names & identifiers
- Preferred name
- N,N-Bis(p-tolylsulfonylmethyl)ethylamine
- IUPAC
- N,N-bis[(4-methylphenyl)sulfonylmethyl]ethanamine
- English name
- N,N-bis[(p-tolylsulphonyl)methyl]ethylamine
- Molecular formula
- C18H23NO4S2
- Molecular weight
- 381.51
Names & synonyms
N,N-Bis(p-tolylsulfonylmethyl)ethylamineRefChem:822176632-224-54542-70-5N,N-Bis((p-tolylsulphonyl)methyl)ethylamineN,N-Bis(tosylmethyl)ethanamineN,N-bis[(p-tolylsulphonyl)methyl]ethylamineEINECS 224-897-5SCHEMBL3974874QUVOXOIEHSGNAH-UHFFFAOYSA-NNS00049304N,N-Bis[[(4-methylphenyl)sulfonyl]methyl]ethanamine
Show more names
Ethanamine, N,N-bis[[(4-methylphenyl)sulfonyl]methyl]-
Database identifiers
- CAS
35777-35-6、4542-70-5- PubChem CID
- 78299
- DTXSID
DTXSID90275760- EC Number
- 224-897-5、632-224-5
- Nikkaji
- J236.460C
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 548
Physicochemical properties
- Melting point
- 114 · 114-115 °C
- Boiling point
- 581.1 · 581.1±50.0 °C(Predicted)
- Density
- 1.243 · 1.243±0.06 g/cm3(Predicted)
- pka
- 1.22 · 1.22±0.50(Predicted)
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)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
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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