4-amino-N-methylbenzene-1-sulfonamide

HCID 74368

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 1709-52-0
Standard SMILES: CNS(=O)(=O)c1ccc(N)cc1
InChIKey: OISQSDKFWKJEBA-UHFFFAOYSA-N
Molecular formula: C7H10N2O2S
Average molar mass: 186.23 g/mol
Monoisotopic mass: 186.04629856

Names & identifiers

Preferred name: 4-amino-N-methylbenzene-1-sulfonamide
IUPAC: 4-amino-N-methylbenzenesulfonamide
English name: 4-Amino-N-methyl-benzenesulfonamide
Molecular formula: C7H10N2O2S
Molecular weight: 186.23

Names & synonyms

4-amino-N-methylbenzene-1-sulfonamideRefChem:518159672-075-34-Amino-N-methylbenzenesulfonamide1709-52-04-Amino-N-methyl-benzenesulfonamideN'-MethylsulfanilamideN-Methyl 4-aminobenzenesulfonamideN1-METHYLSULFANILAMIDEBenzenesulfonamide, 4-amino-N-methyl-MFCD016831044-amino-n-methylbenzenesulphonamide

Show more names

AKOS B000457AKOS BBS-00000283BUTTPARK 34\07-93IFLAB-BB F1591-0157ART-CHEM-BB B000457TIMTEC-BB SBB005913N1-METHYLSULPHANILAMIDEn(sup1)-methylsulfanilamide

EU92A49HM94-14-00-02659 (Beilstein Handbook Reference)[(4-aminophenyl)sulfonyl]methylamineNSC-137232F1591-0157N(sup 1)-MethylsulfanilamideCCRIS 6814BRN 2366812

Database identifiers

CAS: 1709-52-0
PubChem CID: 74368
DTXSID: DTXSID30168965
ChEMBL: CHEMBL343918
UNII: EU92A49HM9
EC Number: 672-075-3
Nikkaji: J590.811F

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 80.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 224

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

LogP0.07

Physicochemical properties

Melting point: 111 °C · 111 °C
Boiling point: 359.2 · 359.2±44.0 °C(Predicted)
Density: 1.29 · 1.2900 (rough estimate)
refractive index: 1.54 · 1.5400 (estimate)
storage temp.: 2 · 2-8°C(protect from light)
pka: 12.38 · 12.38±0.30(Predicted)
Appearance: Off-white to light brown Solid
Water Solubility: 17.6 g/L · 17.6g/L(37 ºC)
EWG's Food Scores: 1 · 1
FDA UNII: 92 A49HM9 · EU92A49HM9
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H315
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
RTECS: 670000 · WP0670000
HazardClass: IRRITANT
HS Code: 29350090 · 29350090

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

rtecs: WP0670000
hs_code: 29350090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: IRRITANT
Hazard statements: H335-H319-H315
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P