Benzenesulfonamide, 4-amino-N,N-dimethyl-

HCID 74369

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Basic information

CAS: 1709-59-7
Standard SMILES: CN(C)S(=O)(=O)c1ccc(N)cc1
InChIKey: BABGMPQXLCJMSK-UHFFFAOYSA-N
Molecular formula: C8H12N2O2S
Average molar mass: 200.26 g/mol
Monoisotopic mass: 200.06194862

Names & identifiers

Preferred name: Benzenesulfonamide, 4-amino-N,N-dimethyl-
IUPAC: 4-amino-N,N-dimethylbenzenesulfonamide
English name: 4-Amino-N,N-dimethyl-benzenesulfonamide
Molecular formula: C8H12N2O2S
Molecular weight: 200.26

Names & synonyms

4-Amino-N,N-dimethylbenzenesulfonamide1709-59-7N,N-DimethylsulfanilamideBenzenesulfonamide, 4-amino-N,N-dimethyl-N1,N1-DimethylsulfanilamideN',N'-DimethylsulfonamideN(1)-Dimethylsulfanilamidep-(Dimethylsulfamoyl)anilinep-Amino-N,N-dimethylbenzenesulfonamideEINECS 216-970-5NSC 110777Sulfanilamide, N(1),N(1)-dimethyl-

Show more names

AKOS BBB/031AKOS BBS-00000284BUTTPARK 34\07-94IFLAB-BB F1591-0314OTAVA-BB BB7216850059N',N'-Dimethylsulfanilamide

DTXSID5061902RefChem:117724DTXCID80354714-Amino-N,N-dimethyl-benzenesulfonamideMFCD000314284-Amino-N,N-dimethylbenzenesulphonamide4-amino-N,N-dimethylbenzene-1-sulfonamideN1-dimethylsulfanilamide

Database identifiers

CAS: 1709-59-7
PubChem CID: 74369
DTXSID: DTXSID5061902
ChEMBL: CHEMBL139593
EC Number: 216-970-5
Nikkaji: J203.097G

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 71.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 248

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

LogP0.67

Physicochemical properties

Melting point: 170 · 170-172°C
Boiling point: 352.9 · 352.9±44.0 °C(Predicted)
Density: 1.2581 · 1.2581 (rough estimate)
refractive index: 1.569 · 1.5690 (estimate)
storage temp.: 2 · 2-8°C(protect from light)
pka: 2.11 · pKa 2.11(H2O t = 25 I = 0.05) (Uncertain)
form: solid
Appearance: Off-white to brown Solid
Water Solubility: 626.8 mg/L · 626.8mg/L(37 ºC)
InChI: 1S/C8H12N2O2S/c1-10(2)13(11,12)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3
InChIKey: BABGMPQXLCJMSK-UHFFFAOYSA-N
SMILES: CN(C)S(=O)(=O)c1ccc(N)cc1
CAS DataBase Reference: 1709 · 1709-59-7(CAS DataBase Reference)
EPA Substance Registry System: 4 · Benzenesulfonamide, 4-amino-N,N-dimethyl- (1709-59-7)
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-43-22
Safety Statements: 26 · 26-36/37/39-36/37
WGK Germany: 3 · WGK 3
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 2935909099 · 2935909099
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralSkin · Acute Tox. 4 OralSkin Sens. 1

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

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

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