Butanamide, N,N'-1,4-phenylenebis(3-oxo-

HCID 90595

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Basic information

CAS: 24731-73-5
Standard SMILES: CC(=O)CC(=O)Nc1ccc(NC(=O)CC(C)=O)cc1
InChIKey: OWGNKUKYZPVEFS-UHFFFAOYSA-N
Molecular formula: C14H16N2O4
Average molar mass: 276.29 g/mol
Monoisotopic mass: 276.111007

Names & identifiers

Preferred name: Butanamide, N,N'-1,4-phenylenebis(3-oxo-
IUPAC: 3-oxo-N-[4-(3-oxobutanoylamino)phenyl]butanamide
English name: N,N'-(1,4-Phenylene)bis(acetoacetamide)
Molecular formula: C14H16N2O4
Molecular weight: 276.29

Names & synonyms

Butanamide, N,N'-1,4-phenylenebis[3-oxo-N,N'-1,4-Phenylenebis(3-oxobutyramide)EINECS 246-438-8Butanamide, N,N'-1,4-phenylenebis(3-oxo-DTXSID4067018EC 246-438-8NSC 87597N,N'-1,4-phenylenebis[3-oxobutyramide]RefChem:570681DTXCID7037139246-438-824731-73-5

Show more names

DIACETOACET-1,4-PHENYLENEDIAMIDEDomperidone Impurity 16Bis(acetoacetyl)benzene1,4-bis-(Acetoacetamido)benzeneDIACETOACET-1,4-PHENYLENEDIAMINEDioacetoacet-1,4-phenylenediamidN,N-Diacetoacetyl-P-diaminobenzeneDiacetyl acetyl p-phenylenediamineN,N'-DIACETOACET-P-PHENYLENEDIAMINEN,N'-Bis(acetyl)-p-phenylenediamine

N,N'-(1,4-Phenylene)Bis(Acetoacetamide)N,N'-(1,4-Phenylene)bis(3-oxobutanamide)3-oxo-N-[4-(3-oxobutanoylamino)phenyl]butanamideMFCD00026257345950-01-81,4-bis(3-oxobutanamido)benzeneNSC87597SCHEMBL593172

Database identifiers

CAS: 24731-73-5
PubChem CID: 90595
DTXSID: DTXSID4067018
EC Number: 246-438-8
Nikkaji: J141.307D

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 92.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 20
Formal charge: 0
Complexity: 360

Physicochemical properties

Melting point: 355 °C · 355 °C (decomp)
Boiling point: 582.2 · 582.2±45.0 °C(Predicted)
Density: 1.279 · 1.279±0.06 g/cm3(Predicted)
pka: 10.93 · 10.93±0.46(Predicted)
Water Solubility: 212 mg/L · 212mg/L at 20℃
LogP: -0.1 at · -0.1 at 23℃
CAS DataBase Reference: 24731 · 24731-73-5(CAS DataBase Reference)
EPA Substance Registry System: -1 · Butanamide, N,N'-1,4-phenylenebis[3-oxo- (24731-73-5)
TSCA: TSCA listed
REACH Registrations: Active

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (35 of 35) of all reports.

Not Classified

Aggregated GHS information provided per 35 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 2 items

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

REACH registered substance: N,N'-1,4-phenylenebis[3-oxobutyramide] (EC: 246-438-8)

Hazard Classes and CategoriesNot Classified

Safety data

tsca: TSCA listed
REACH Registrations: Active

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationButanamide, N,N'-1,4-phenylenebis[3-oxo-: ACTIVE

Applications

UsesN,N'-(1,4-Phenylene)bis(acetoacetamide) is used as intermediate for the manufacture of organic pigments.

Upstream & downstream products

Upstream raw materials

Suppliers79 total

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]

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