N,N-Bis(2-hydroxyethyl)-4-methylbenzenesulfonamide

HCID 81565

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Basic information

CAS: 7146-67-0
Standard SMILES: Cc1ccc(S(=O)(=O)N(CCO)CCO)cc1
InChIKey: NHFJDXPINIIUQG-UHFFFAOYSA-N
Molecular formula: C11H17NO4S
Average molar mass: 259.32 g/mol
Monoisotopic mass: 259.08782902

Names & identifiers

Preferred name: N,N-Bis(2-hydroxyethyl)-4-methylbenzenesulfonamide
IUPAC: N,N-bis(2-hydroxyethyl)-4-methylbenzenesulfonamide
English name: N,N-BIS(2-HYDROXYETHYL)-P-TOLUENESULFONAMIDE
Molecular formula: C11H17NO4S
Molecular weight: 259.32

Names & synonyms

7146-67-0N,N-Bis(2-hydroxyethyl)-4-methylbenzenesulfonamideN,N-Bis(2-hydroxyethyl)-p-toluenesulphonamideNSC-23811NSC-46865J4FN4U7FGPDTXSID40221676RefChem:1090390DTXCID70144167230-455-2N,N-Bis(2-hydroxyethyl)-p-toluenesulfonamide3-Maleimido-PROXYL

Show more names

LABOTEST-BB LT00455265N,N-BIS(2-HYDROXHYETHYL)-4-TOLUENESULFONAMIDEN,N-BIS(2-HYDROXYETHYL)TOLUENE-4-SULPHONAMIDEN N-BIS-(2-HYDROXYETHYL)-P-TOLUENESULPHONAMIDEN,N-Bis(2-hydroxyethyl)-p-toluenesulfonamide>N,N-Bis(2-hydroxyethyl)-4-methylbenzenesulfonamide2-{imidazo[1,5-a]pyridin-3-ylmethyl}-2,3-dihydro-1H-isoindole-1,3-dione

MFCD00020582Benzenesulfonamide, N,N-bis(2-hydroxyethyl)-4-methyl-N,N-Bis-(2-hydroxyethyl)-p-toluenesulfonamideN,N-bis(2-hydroxyethyl)-4-methylbenzene-1-sulfonamideSR-01000076268-1Benzenesulfonamide,N-bis(2-hydroxyethyl)-4-methyl-bis(2-hydroxyethyl)[(4-methylphenyl)sulfonyl]amineC-Acety

Database identifiers

CAS: 7146-67-0
PubChem CID: 81565
DTXSID: DTXSID40221676
UNII: J4FN4U7FGP
EC Number: 230-455-2
Nikkaji: J143.883B

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 86.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 17
Formal charge: 0
Complexity: 298

Physicochemical properties

Melting point: 94 · 94-100 °C
Boiling point: 452.4 · 452.4±55.0 °C(Predicted)
Density: 1.2812 · 1.2812 (rough estimate)
refractive index: 1.55 · 1.5500 (estimate)
form: powder to crystal
pka: 13.92 · 13.92±0.10(Predicted)
color: White to Almost white
CAS DataBase Reference: 7146 · 7146-67-0
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22
Safety Statements: 38 · 38-28B
HS Code: 2935.9 · 2935.90.9500

Safety & regulation

Safety data

hs_code: 2935.90.9500
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 38-28B
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses2-Hydroxy-N-(2-hydroxyethyl)-S-(4-methylphenyl)ethane-1-sulfonamido acts as a reagent for the preparation of keto-acid reductoisomerase inhibitors and determination of their activity as herbicides, cancerocidal substances. XXIX. 1,1-Bis(2-chloroethyl)hydrazine and it’s derivatives as tumor-inhibiting agents.