N-(2-(diethylamino)ethyl)-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide

HCID 20761785

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Grundinformationen

CAS: 356068-86-5
Standard-SMILES: CCN(CC)CCNC(=O)c1c(C)[nH]c(C=O)c1C
InChIKey: BRZYBFNUINXZMJ-UHFFFAOYSA-N
Summenformel: C14H23N3O2
Durchschnittliche Molmasse: 265,35 g/mol
Monoisotopische Masse: 265,17902698

Namen und Bezeichner

Bevorzugter Name: N-(2-(diethylamino)ethyl)-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide
IUPAC: N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide
Englischer Name: N-(2-(Diethylamino)ethyl)-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide
Summenformel: C14H23N3O2
Molmasse: 265.35

Namen und Synonyme

356068-86-5N-(2-(Diethylamino)ethyl)-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamideN-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide8TS2JL9Q75DTXSID406096721H-Pyrrole-3-carboxamide, N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-Pyrrole-3-carboxamide, N-(2-(diethylamino)ethyl)-5-formyl-2,4-dimethyl-5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid N-(2-diethylaminoethyl)amideRefChem:161608DTXCID70560429807-829-4MFCD12913910

Weitere Namen anzeigen

sunitinib PI-5Sunitinib Malate 2N-(2-(Diethylamino)Sunitinib Impurity 3Sunitinib Impurity 50Sunitinib EP Impurity-CN-[2-(Diethylamino)ethylSunitinib Aldehyde ImpurityN-[2-(Diethylamino)ethyl]-5-formyl-

Sunitinib Impurity DN-[2-(Diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide; 5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (2-diethylaminoethyl)amide; 5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid N-(2-diethylaminoethyl)amideUNII-8TS2JL9Q75SCHEMBL1044420BRZYBFNUINXZMJ-UHFFFAOYSA-NAKOS015896193N-[2-(Diethylamino)ethyl]-2,4-dimethyl-5-formyl-1H-pyrrole-3-carboxamideAC-8962

Datenbank-Bezeichner

CAS: 356068-86-5
PubChem CID: 20761785
DTXSID: DTXSID40609672
UNII: 8TS2JL9Q75
EC Number: 807-829-4
Nikkaji: J1.774.754A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 65,2 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 7
Schwere Atome: 19
Formalladung: 0
Komplexität: 305

Physikochemische Eigenschaften

Schmelzpunkt: 145 · 145-148°C
Siedepunkt: 389.9 · 389.9±42.0 °C(Predicted)
Dichte: 1.096 · 1.096
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: Dichloromethane (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 15.07 · 15.07±0.50(Predicted)
Farbe: Off-White
InChI: InChI=1S/C14H23N3O2/c1-5-17(6-2)8-7-15-14(19)13-10(3)12(9-18)16-11(13)4/h9,16H,5-8H2,1-4H3,(H,15,19)
InChIKey: BRZYBFNUINXZMJ-UHFFFAOYSA-N
SMILES: N1C(C=O)=C(C)C(C(NCCN(CC)CC)=O)=C1C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (66.7%): 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)

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

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)

Sicherheitsdaten

hs_code: 2933998090

Chemie und Industrie

Anwendungen

VerwendenN-[2-(Diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide is used in the preparation of (pyrrolylmethylidene)indolinones as tyrosine kinase inhibitors.