4-Amino-N-methylbenzenemethanesulfonamide

HCID 2778131

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Grundinformationen

CAS: 109903-35-7
Standard-SMILES: CNS(=O)(=O)Cc1ccc(N)cc1
InChIKey: CIWNHTXCBHTWRV-UHFFFAOYSA-N
Summenformel: C8H12N2O2S
Durchschnittliche Molmasse: 200,26 g/mol
Monoisotopische Masse: 200,06194862

Namen und Bezeichner

Bevorzugter Name: 4-Amino-N-methylbenzenemethanesulfonamide
IUPAC: 1-(4-aminophenyl)-N-methylmethanesulfonamide
Englischer Name: 4-Amino-N-methylbenzenemethanesulfonamide
Summenformel: C8H12N2O2S
Molmasse: 200.26

Namen und Synonyme

4-Amino-N-methylbenzenemethanesulfonamide109903-35-71-(4-aminophenyl)-N-methylmethanesulfonamideBenzenemethanesulfonamide, 4-amino-N-methyl-76T5Q2TVD44-(((Methylamino)sulfonyl)methyl)anilineDTXSID90380787RefChem:97825DTXCID103318124-Amino-N-Methyl Benzene Methane Sulfonamide600-932-34-Amino-N-methyl-alpha-toluenesulfonamide

Weitere Namen anzeigen

BUTTPARK 146\04-55SuMatriptan AMine IMpurityN-Methyl-4-AminosulfabenzamideSumatriptan Aminophenyl Impurity4-Amino-N-methylbenzylsulfonamide4-AMINO-N-METHYLBENZYLSULPHONAMIDEN-Methyl-4-aMinotoluenesulphonaMide4-amino-n-methyl-à-toluenesulfonamide4-amino-n-methyl-α-toluenesulfonamide

MFCD00671697(4-aminophenyl)-n-methylmethanesulfonamide4-Amino-N-methyl-a-toluenesulfonamide4-Amino-N-methylbenzenemethanesulfonaide{[(4-aminophenyl)methyl]sulfonyl}methylamine4-Animophenyl-N-methyl methanesulfonamideBenzenemethanesulfonamide, 4-amino-N-methyl-; 4-Amino-N-methylbenzenemethanesulfonamide; 1-(4-Aminophenyl)-N-methylmethanesulfonamide; 4-(((Methylamino)sulfonyl)methyl)aniline1-(4-aminophenyl)-N-methyl-methanesulfonamide

Datenbank-Bezeichner

CAS: 109903-35-7
PubChem CID: 2778131
DTXSID: DTXSID90380787
UNII: 76T5Q2TVD4
EC Number: 600-932-3

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,1
Polarare Oberfläche (TPSA): 80,6 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 13
Formalladung: 0
Komplexität: 237

Physikochemische Eigenschaften

Schmelzpunkt: 140 · 140-142 °C(lit.)
Siedepunkt: 387.6 · 387.6±44.0 °C(Predicted)
Dichte: 1.297 · 1.297±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Löslichkeit: DMSO (Slightly), Methanol (Slightly, Heated)
Aggregatzustand: Solid
pka: 11.5 · 11.50±0.40(Predicted)
Farbe: Pale Yellow to Pale Beige
BRN: 5865321 · 5865321
InChI: InChI=1S/C8H12N2O2S/c1-10-13(11,12)6-7-2-4-8(9)5-3-7/h2-5,10H,6,9H2,1H3
InChIKey: CIWNHTXCBHTWRV-UHFFFAOYSA-N
SMILES: C1(CS(NC)(=O)=O)=CC=C(N)C=C1
CAS Datenbank: 109903 · 109903-35-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (86.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (86.7%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 2935909099
risk_code: 22-43
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 36/37
hazard_class: 9
packing_group: III
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralSkin Sens. 1