4-(Morpholinosulfonyl)aniline

HCID 210794CAS 21626-70-0

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIKey: FTKHPQFFQRKOJC-UHFFFAOYSA-N
Molecular formula: C10H14N2O3S
Average molar mass: 242.3 g/mol
Monoisotopic mass: 242.07251331

Overview

structure given in first source

Names & identifiers

Preferred name: 4-(Morpholinosulfonyl)aniline
IUPAC: 4-morpholin-4-ylsulfonylaniline
English name: 4-(Morpholine-4-sulfonyl)-phenylamine
Molecular formula: C10H14N2O3S
Molecular weight: 242.29

Names & synonyms

4-(Morpholinosulfonyl)aniline21626-70-0Compound 82 208p-Aminobenzene sulfonyl morpholineDTXSID80176015compound 82-208RefChem:127650DTXCID00985064-(Morpholine-4-sulfonyl)-phenylamine4-(morpholin-4-ylsulfonyl)aniline4-(morpholine-4-sulfonyl)anilineMFCD00277213

Show more names

AKOS B006833AKOS BBB/019AKOS MSC-0718compound82/208BUTTPARK 100\07-69TIMTEC-BB SBB007024IFLAB-BB F0433-0463ART-CHEM-BB B006833OTAVA-BB BB0118671612

4-morpholin-4-ylsulfonylaniline4-(4-morpholinylsulfonyl)anilineMorpholine, 4-sulfanilyl-sulfanilic acid, morpholideBenzenamine, 4-(4-morpholinylsulfonyl)-4-(morpholine-4-sulfonyl)-anilineMorpholine, 4-((4-aminophenyl)sulfonyl)-Morpholine, 4-[(4-aminophenyl)sulfonyl]-

Database identifiers

CAS: 21626-70-0
PubChem CID: 210794
DTXSID: DTXSID80176015
EC Number: 673-493-9

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 81 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 311

Physicochemical properties

Melting point: 216 °C · 216 °C
Boiling point: 442.1 · 442.1±55.0 °C(Predicted)
Density: 1.36 · 1.360±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 2.49 · 2.49±0.10(Predicted)
CAS DataBase Reference: 21626 · 21626-70-0(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-22
Safety Statements: 26 · 26-36/37/39-24/25
Hazard Note: Harmful
HazardClass: IRRITANT
HS Code: 29349990 · 29349990

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302+H312+H332 (93.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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

Aggregated GHS information provided per 30 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.