CAS 35303-76-5 4-(2-Aminoethyl)benzenesulfonamide (HCID 169682)

Names & identifiers

Preferred name: 4-(2-Aminoethyl)benzenesulfonamide
IUPAC: 4-(2-aminoethyl)benzenesulfonamide
English name: 4-(2-Aminoethyl)benzenesulfonamide
Molecular formula: C8H12N2O2S
Molecular weight: 200.26

Names & synonyms

4-(2-Aminoethyl)benzenesulfonamide35303-76-5WIA59Y34CJDTXSID20188814AEBSNH2RefChem:512184DTXCID80111305252-501-04-(2-aminoethyl)benzene-1-sulfonamideMFCD00010301Benzenesulfonamide, 4-(2-aminoethyl)-4-(2-Aminoethyl)benzene sulfonamide

Show more names

TIMTEC-BB SBB003544OTAVA-BB BB7020410047LABOTEST-BB LT00080735Glimepiride Impurity 26P-AminoethylbenzenesulfonamideGlimepiride Sulfonamide Impurity4-(2-Aminoethyl)benzesulfonamide

Glipizide Impurity 324-(2-Aminoethyl)benzenesulphonamideCHEMBL70874-aminoethylbenzenesulfonamide2-(4-sulfamoylphenyl)ethylamine4-(2-Aminoethyl) Benzenesulfonamide4-(2-Amino-ethyl)-benzenesulfonamideGlipizide Impurity 14

Database identifiers

CAS: 35303-76-5
PubChem CID: 169682
DTXSID: DTXSID20188814
ChEMBL: CHEMBL7087
UNII: WIA59Y34CJ
EC Number: 252-501-0
Nikkaji: J236.453K

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 94.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 237

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

Physicochemical properties

Melting point: 150 · 150-152 °C (lit.)
Boiling point: 387.4 · 387.4±44.0 °C(Predicted)
Density: 1.2581 · 1.2581 (rough estimate)
vapor pressure: 0 Pa · 0Pa at 25℃
refractive index: 1.569 · 1.5690 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: DMSO (Slightly), Methanol (Slightly)
pka: 10.16 · 10.16±0.10(Predicted)
form: Solid
color: White
Water Solubility: 15.5 g/L · 15.5g/L at 20℃
InChI: InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)
InChIKey: FXNSVEQMUYPYJS-UHFFFAOYSA-N
SMILES: C1(S(N)(=O)=O)=CC=C(CCN)C=C1
LogP: -3.1 at · -3.1 at 19.8℃
CAS DataBase Reference: 35303 · 35303-76-5(CAS DataBase Reference)
FDA UNII: 59 Y34CJ · WIA59Y34CJ
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Warning
Hazard statements: 290 · H290-H315-H319
Precautionary statements: 234 · P234-P264-P280-P302+P352-P305+P351+P338-P332+P313
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: C,Xi,Xn
Risk Statements: 34 · 34-22-36/37/38-20/21/22
Safety Statements: 45 · 45-36/37/39-26-36-24/25
RIDADR: 3259 · UN3259
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29350090 · 29350090
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 2 Met · Eye Irrit. 2Met. Corr. 1Skin Irrit. 2
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (63.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 22 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 09-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13666

Hazard Classes and CategoriesAcute Tox. 4 (63.6%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
ridadr: UN3259
hs_code: 29350090
risk_code: 34-22-36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS05
hazard_code: C,Xi,Xn
hazard_note: Irritant
safety_code: 45-36/37/39-26-36-24/25
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H290-H315-H319
REACH Registrations: Active
Hazard Classifications: Eye Irrit. 2Met. Corr. 1Skin Irrit. 2
Precautionary statements: P234-P264-P280-P302+P352-P305+P351+P338-P332+P313

Chemistry & industry

Applications · 3 items

Uses4-(2-Aminoethyl)benzenesulfonamide is used as the starting material in the synthesis of Des(5-methylpyrazinecarbonyl) trans-4-Methyl Glipizide (D292605); a degradation product of Glimepiride (G410150) which is a sulfonylurea hypoglycemic agent and an antidiabetic. 4-(2-Aminoethyl)benzenesulfonamide is also used as a reagent in the synthesis of deorphaning pyrrolopyrazines as potent multi-target antimalarial agents.

Uses4-(2-Aminoethyl)benzenesulfonamide was used to develop a model system to study the implementation of a microfluid chip required for Fourier transform measurements of biochemical interactions.

General DescriptionThe human hepatocellular carcinoma (HCC) cells were treated with its inhibitor 4-(2-aminoethyl)benzenesulfonamide.