Malonamid

Malonamide

HCID 7911CAS 108-13-4

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Grundinformationen

Standard-SMILES: NC(=O)CC(N)=O
InChIKey: WRIRWRKPLXCTFD-UHFFFAOYSA-N
Summenformel: C3H6N2O2
Durchschnittliche Molmasse: 102,09 g/mol
Monoisotopische Masse: 102,04292743

Überblick

Malonamide is a dicarboxylic acid diamide that is malonic acid in which both carboxy groups have been replaced by carbamoyl groups. It is functionally related to a malonic acid.

Namen und Bezeichner

Bevorzugter Name: Malonamide
IUPAC: propanediamide
Lokaler Name: Malonamid
Englischer Name: Malonamide
Summenformel: C3H6N2O2
Molmasse: 102.09

Namen und Synonyme

MALONAMIDEPropanediamide108-13-4MalonodiamideMalondiamideMalonyldiamideMalonic acid diamideCarboxamidoacetamideMalonic diamideQVQ8CNG255NSC-2134DTXSID1040116

Weitere Namen anzeigen

NSC 2134Malonamide>AURORA KA-4099malonicdiamideMalonamide 98%

CHEBI:48537RefChem:155440DTXCID9020116203-553-8MFCD00008034MalonamidMalonamide, 97%Milrinone Impurity L

Datenbank-Bezeichner

CAS: 108-13-4
PubChem CID: 7911
DTXSID: DTXSID1040116
ChEBI: CHEBI:48537
UNII: QVQ8CNG255
EC Number: 203-553-8
Nikkaji: J2.415E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,8
Polarare Oberfläche (TPSA): 86,2 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 7
Formalladung: 0
Komplexität: 87,1

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Amides, Other

SpringerMaterials PropertiesCrystal structure

Physical DescriptionWhite crystalline solid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 172 · 172-175 °C (lit.)
Siedepunkt: 191.38 °C · 191.38°C (rough estimate)
Dichte: 1.3516 · 1.3516 (rough estimate)
Brechungsindex: 1.511 · 1.5110 (estimate)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Soluble in HCl.
pka: 7 · 7.00±0.70(Predicted)
Aggregatzustand: powder to crystal
Farbe: White to Almost white
Wasserlöslichkeit: 180 g/L · 180 g/L (20 ºC)
BRN: 1751401 · 1751401
InChI: InChI=1S/C3H6N2O2/c4-2(6)1-3(5)7/h1H2,(H2,4,6)(H2,5,7)
InChIKey: WRIRWRKPLXCTFD-UHFFFAOYSA-N
SMILES: C(N)(=O)CC(N)=O
CAS Datenbank: 108 · 108-13-4(CAS DataBase Reference)
NIST chemische Informationen: Propanediamide(108-13-4)
EPA chemische Informationen: Propanediamide (108-13-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Propanediamide

Propanediamide: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See n-Butylamide and Succinamide.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 2
tsca: TSCA listed
hs_code: 29241900
RTECS-Nr.: ON9125000
safety_code: 22-24/25
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationPropanediamide: ACTIVE

Anwendungen

BeschreibungMalonamide is a dicarboxylic acid diamide that is malonic acid in which both carboxy groups have been replaced by carbamoyl groups. It is functionally related to a malonic acid.

VerwendenMalonamide is used in the synthesis of malonamic acid, malonamate and malonamide derivative of some heterocyclic compounds with antiinflammatory activity.