4-Amino-N-ethylbenzenesulfonamide

HCID 593572

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Basic information

CAS: 1709-53-1
Standard SMILES: CCNS(=O)(=O)c1ccc(N)cc1
InChIKey: FDZPXCJOUIWRII-UHFFFAOYSA-N
Molecular formula: C8H12N2O2S
Average molar mass: 200.26 g/mol
Monoisotopic mass: 200.06194862

Names & identifiers

Preferred name: 4-Amino-N-ethylbenzenesulfonamide
IUPAC: 4-amino-N-ethylbenzenesulfonamide
English name: 4-AMINO-N-ETHYL-BENZENESULFONAMIDE
Molecular formula: C8H12N2O2S
Molecular weight: 200.26

Names & synonyms

4-Amino-N-ethylbenzenesulfonamide1709-53-14-amino-N-ethylbenzene-1-sulfonamideDTXSID40343968RefChem:518150DTXCID90295044672-087-94-amino-n-ethyl-benzenesulfonamideMFCD02090910N-Ethyl 4-aminobenzenesulfonamide[(4-aminophenyl)sulfonyl]ethylamineSCHEMBL923761

Show more names

AKOS B000465ASISCHEM B51666AKOS BBS-00000285IFLAB-BB F1591-0471CHEMBRDG-BB 3000465ART-CHEM-BB B000465

ALBB-0000464-Amino-N-ethylbenzenesulfonamide #BBL007980SBB019570STK288080Benzenesulfonamide, 4-amino-N-ethyl-AKOS000141345AT23141

Database identifiers

CAS: 1709-53-1
PubChem CID: 593572
DTXSID: DTXSID40343968
EC Number: 672-087-9

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 80.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 237

Physicochemical properties

Melting point: 106 °C · 106 °C
Boiling point: 367.9 · 367.9±44.0 °C(Predicted)
Density: 1.26 · 1.260±0.06 g/cm3(Predicted)
pka: 12.57 · 12.57±0.50(Predicted)
CAS DataBase Reference: 1709 · 1709-53-1(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Hazard Codes: Xi
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_class: IRRITANT
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501