CAS 106894-77-3 N-(2-hydroxypropyl)-N-methylmethanesulfonamide (HCID 20224904)

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Basic information

CAS: 106894-77-3
Standard SMILES: CC(O)CN(C)S(C)(=O)=O
InChIKey: WXCXGDONMSBJFT-UHFFFAOYSA-N
Molecular formula: C5H13NO3S
Average molar mass: 167.23 g/mol
Monoisotopic mass: 167.06161445

Names & identifiers

Preferred name: N-(2-hydroxypropyl)-N-methylmethanesulfonamide
IUPAC: N-(2-hydroxypropyl)-N-methylmethanesulfonamide
English name: N-(2-hydroxypropyl)-N-methylmethanesulfonamide
Molecular formula: C5H13NO3S
Molecular weight: 167.23

Names & synonyms

N-(2-hydroxypropyl)-N-methylmethanesulfonamide106894-77-3SCHEMBL598564SCHEMBL10510602WXCXGDONMSBJFT-UHFFFAOYSA-NGEA89477AKOS011619288DA-480281-(N-Methyl-Methanesulfonamido)-2-PropanolCS-0233979EN300-137545N-(2-hydroxypropyl)-N-methyl-methanesulfonamide

Show more names

Methanesulfonamide, N-(2-hydroxypropyl)-N-methyl-

Z976647250

Database identifiers

CAS: 106894-77-3
PubChem CID: 20224904
EC Number: 185-703-1

Properties

Computed structural properties

XLogP: -0.7
Topological polar surface area: 66 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 0
Complexity: 182

Physicochemical properties

Boiling point: 272.6 · 272.6±42.0 °C(Predicted)
Density: 1.218 · 1.218±0.06 g/cm3(Predicted)
pka: 14.36 · 14.36±0.20(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.