2',2''-Dimethoxy-4',4''-biacetanilide

HCID 54986

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Basic information

CAS: 83310-76-3
Standard SMILES: COc1cc(-c2ccc(NC(C)=O)c(OC)c2)ccc1NC(C)=O
InChIKey: NIYPWEHXGKGWAE-UHFFFAOYSA-N
Molecular formula: C18H20N2O4
Average molar mass: 328.4 g/mol
Monoisotopic mass: 328.14230712

Names & identifiers

Preferred name: 2',2''-Dimethoxy-4',4''-biacetanilide
IUPAC: N-[4-(4-acetamido-3-methoxyphenyl)-2-methoxyphenyl]acetamide
English name: N,N'-Diacetyldianisidine
Molecular formula: C18H20N2O4
Molecular weight: 328.36

Names & synonyms

2',2''-DIMETHOXY-4',4''-BIACETANILIDERefChem:439343661-604-3N,N'-Diacetyldianisidine83310-76-3ACETAMIDE, N,N'-(3,3'-DIMETHOXY(1,1'-BIPHENYL)-4,4'-DIYL)BIS-N,N'-Diacetyl-3,3'-dimethoxybenzidineN,N'-(3,3'-Dimethoxy-[1,1'-biphenyl]-4,4'-diyl)diacetamideBRN 3430987Cambridge id 5181318Oprea1_258329MLS001030164

Show more names

2',2'-DIMETHOXY-4',4'-BIACETANILIDEN,N'-(3,3'-dimethoxybiphenyl-4,4'-diyl)diacetamideN,N'-(3,3'-Dimethoxy-4,4'-biphenylylene)bisacetamideN,N'-[3,3'-Dimethoxy-1,1'-biphenyl-4,4'-diyl]bis(acetamide)Acetamide, N,N'-(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis-

SCHEMBL9400208CHEMBL1880036DTXSID4036851NIOSH/DT2840000NIYPWEHXGKGWAE-UHFFFAOYSA-NHMS2782I11STK179627AKOS001647712

Database identifiers

CAS: 83310-76-3
PubChem CID: 54986

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 76.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 403

Experimental & physicochemical properties

Solubility10.1 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Boiling point: 538.1 · 538.1±50.0 °C(Predicted)
Density: 1 · 1+-.0.06 g/cm3(Predicted)
pka: 13.9 · 13.90±0.70(Predicted)
Symbol(GHS): 9 · GHS09
Signal word: Warning
Hazard statements: 400 · H400
Precautionary statements: 273 · P273-P391-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAquatic Acute 1 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS09
Hazard statements: H400
Precautionary statements: P273-P391-P501

Chemistry & industry

Suppliers5 total

PHARMEKS Ltd.[email protected]

Interbioscreen Ltd.[email protected]

西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]

VITAS-BB—

SIGMAALDRICH—

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Compound notes

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