N-Methylmethanesulfonamide

HCID 97632CAS 1184-85-6

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Basic information

Standard SMILES: CNS(C)(=O)=O
InChIKey: UHNHTTIUNATJKL-UHFFFAOYSA-N
Molecular formula: C2H7NO2S
Average molar mass: 109.15 g/mol
Monoisotopic mass: 109.01974964

Names & identifiers

Preferred name: N-Methylmethanesulfonamide
IUPAC: N-methylmethanesulfonamide
English name: N-Methyl methanesulfonamide
Molecular formula: C2H7NO2S
Molecular weight: 109.15

Names & synonyms

1184-85-6N-MethylmethanesulfonamideMethanesulfonamide, N-methyl-Methansulfonsaure-N-methylamidMethanesulfonic acid methylamideMethansulfonic acid-n-methylamideNSC 137909Methansulfonsaure-N-methylamid [German]BRN 1633748DTXSID801521124-04-00-00268 (Beilstein Handbook Reference)RefChem:163857

Show more names

N-methylmethylsulfonamideAKOS 91020N-MethylmethaneN-Methyl methanesulfN - Methyl sulfonaMideN-Methyl methanesulfomiden-methyl-methanesulfonamidMethy sulfonyl methylamineMETHYL SULFONYL METHYLAMINE

DTXCID8074603423-930-2601-529-5N-Methyl methanesulfonamideN-Methylmethane sulfonamideN-Methyl-methanesulfonamideMFCD00776277N-methylmethanesulphonamide

Database identifiers

CAS: 1184-85-6
PubChem CID: 97632
DTXSID: DTXSID80152112
EC Number: 423-930-2、601-529-5
Nikkaji: J511.874C

Properties

Computed structural properties

XLogP: -0.7
Topological polar surface area: 54.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 108

Physicochemical properties

Boiling point: 118 °C/0.3mmHg · 118°C/0.3mmHg(lit.)
Density: 1.194 · 1.194±0.06 g/cm3(Predicted)
refractive index: 1.45 to · 1.4500 to 1.4540
Flash point: 53 °C · 53 °C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: clear liquid
pka: 11.57 · 11.57±0.40(Predicted)
Specific Gravity: 1.28 · 1.28
color: Colorless to Almost colorless
Sensitive: Air Sensitive
InChI: InChI=1S/C2H7NO2S/c1-3-6(2,4)5/h3H,1-2H3
InChIKey: UHNHTTIUNATJKL-UHFFFAOYSA-N
SMILES: CS(NC)(=O)=O
CAS DataBase Reference: 1184 · 1184-85-6(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 501 · P501-P261-P271-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P304+P340+P312-P403+P233-P405
RIDADR: 1993 · UN 1993 9/PG III
RTECS: 476750 · PB0476750
HazardClass: 9 · 9
PackingGroup: III
HS Code: 2935909099 · 2935909099

Safety & regulation

Safety data

rtecs: PB0476750
ridadr: UN 1993 9/PG III
hs_code: 2935909099
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: 9
packing_group: III
Hazard statements: H315-H319-H335
Precautionary statements: P501-P261-P271-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P304+P340+P312-P403+P233-P405