2-(N-methylmethanesulfonamido)acetic acid
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Basic information
- CAS
115665-52-6- Standard SMILES
CN(CC(=O)O)S(C)(=O)=O- InChIKey
BJJBJDSBYILUDE-UHFFFAOYSA-N- Molecular formula
- C4H9NO4S
- Average molar mass
- 167.19 g/mol
- Monoisotopic mass
- 167.02522894
Names & identifiers
- Preferred name
- 2-(N-methylmethanesulfonamido)acetic acid
- IUPAC
- 2-[methyl(methylsulfonyl)amino]acetic acid
- English name
- N-Methyl-N-(Methylsulfonyl)glycine
- Molecular formula
- C4H9NO4S
- Molecular weight
- 167.18
Names & synonyms
2-(N-methylmethanesulfonamido)acetic acidRefChem:461557827-731-5N-methyl-N-(methylsulfonyl)glycine115665-52-62-(N-Methylmethylsulfonamido)acetic acid2-[methyl(methylsulfonyl)amino]acetic acidGlycine, N-methyl-N-(methylsulfonyl)-MFCD07403636(N-methylmethanesulfonamido)acetic acidF2135-05192-[methane(methyl)sulfonamido]acetic acid
Show more names
N-Methyl-N-(Methylsulfonyl)glycine USP/EP/BP
N-Methyl-N-(methylsulfonyl)SCHEMBL8005614DTXSID90424695SMSSF-0613631(N-mesyl-N-methylamino)acetic acidALBB-033264QEA66552N-(Methanesulfonyl)-N-methylglycine
Database identifiers
- CAS
115665-52-6- PubChem CID
- 6502033
- DTXSID
DTXSID90424695- EC Number
- 827-731-5
Properties
Computed structural propertiesFilling in
- XLogP
- -0.9
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Melting point
- 67 °C · 67 °C
- Boiling point
- 326.3 · 326.3±44.0 °C(Predicted)
- Density
- 1.423 · 1.423±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.43 · 3.43±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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