CAS 202198-18-3 (2-Methanesulfonylethyl)(methyl)amine (HCID 3856040)

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Basic information

CAS: 202198-18-3
Standard SMILES: CNCCS(C)(=O)=O
InChIKey: GCPNZCTVVWEQKX-UHFFFAOYSA-N
Molecular formula: C4H11NO2S
Average molar mass: 137.2 g/mol
Monoisotopic mass: 137.05104959

Names & identifiers

Preferred name: (2-Methanesulfonylethyl)(methyl)amine
IUPAC: N-methyl-2-methylsulfonylethanamine
English name: N-Methyl-2-(methylsulfonyl)ethylamine
Molecular formula: C4H11NO2S
Molecular weight: 137.2

Names & synonyms

(2-methanesulfonylethyl)(methyl)amineRefChem:395950691-625-3202198-18-3N-Methyl-2-(methylsulfonyl)ethanamine2-(Methylamino)-1-(methylsulfonyl)ethaneN-methyl-2-methylsulfonylethanamineN-Methyl-2-(methylsulfonyl)ethylamineEthanamine, N-methyl-2-(methylsulfonyl)-MFCD020894032-(Methylamino)-1-(methylsulphonyl)ethaneSCHEMBL553402

Show more names

(2-Methylsulfonylethyl)methylamineN-Methyl-2-(methylsulphonyl)ethylamineN-Methyl-2-(methanesulfonyl)ethylamineN-Methyl-2-(methylsulfonyl)ethan-1-amine1-(Methylamino)-2-(methylsulphonyl)ethane, Methyl 2-(methylamino)ethyl sulphone

SCHEMBL1097962SCHEMBL5117559DTXSID00397402GCPNZCTVVWEQKX-UHFFFAOYSA-NAR3755AKOS009118576(2-methanesulfonyl-ethyl)-methyl-amineN-methyl-2-(methylsulfonyl)ethaneamine

Database identifiers

CAS: 202198-18-3
PubChem CID: 3856040
DTXSID: DTXSID00397402
EC Number: 691-625-3

Properties

Computed structural properties

XLogP: -0.8
Topological polar surface area: 54.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 133

Physicochemical properties

Boiling point: 288 ℃ · 288℃
Density: 1.102 · 1.102
Flash point: 128 ℃ · 128℃
storage temp.: 2 · 2-8°C(protect from light)
pka: 8.39 · 8.39±0.10(Predicted)
Appearance: Light brown to brown Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.