Ethyl 2-(diphenylmethyleneamino)acetate

HCID 319508CAS 69555-14-2

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Grundinformationen

Standard-SMILES: CCOC(=O)CN=C(c1ccccc1)c1ccccc1
InChIKey: QUGJYNGNUBHTNS-UHFFFAOYSA-N
Summenformel: C17H17NO2
Durchschnittliche Molmasse: 267,32 g/mol
Monoisotopische Masse: 267,12592878

Namen und Bezeichner

Bevorzugter Name: Ethyl 2-(diphenylmethyleneamino)acetate
IUPAC: ethyl 2-(benzhydrylideneamino)acetate
Englischer Name: Ethyl N-(diphenylmethylene)glycinate
Summenformel: C17H17NO2
Molmasse: 267.32

Namen und Synonyme

ethyl 2-(diphenylmethyleneamino)acetateNSC 263808EC 614-987-6RefChem:593991614-987-669555-14-2N-(Diphenylmethylene)glycine ethyl esterEthyl N-(diphenylmethylene)glycinateEthyl 2-((diphenylmethylene)amino)acetateethyl 2-(benzhydrylideneamino)acetatediphenylmethylene-glycine ethyl esterMFCD00010590

Weitere Namen anzeigen

ETHYL (DIPHENYLMETHYLENAMINO)ACETATE(N,N-DIPHENYLMETHYLENE)GLYCINE ETHYL ESTERDPM-Gly-OetN-(DiphenyLAURORA KA-6707Ethyl N-(diphenylmetN-Benzhydrylideneglycine ethyl

ethyl 2-[(diphenylmethylidene)amino]acetateEthyl [(diphenylmethylene)amino]acetateethyl N-(diphenylmethylidene)glycinate(N,N-diphenylmethylgene)glycine ethyl esterGlycine, N-(diphenylmethylene)-, ethyl esterdiphenylmethylene glycine ethyl esterN-(diphenylmethylene) glycine ethyl esterTimTec1_000215

Datenbank-Bezeichner

CAS: 69555-14-2
PubChem CID: 319508
DTXSID: DTXSID10312883
EC Number: 614-987-6
Nikkaji: J236.350J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,8
Polarare Oberfläche (TPSA): 38,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 6
Schwere Atome: 20
Formalladung: 0
Komplexität: 306

Physikochemische Eigenschaften

Schmelzpunkt: 51 · 51-53 °C(lit.)
Siedepunkt: 195 °C/2mmHg · 195°C/2mmHg(lit.)
Dichte: 1.069 · 1.0690 (rough estimate)
Brechungsindex: 1.54 · 1.5400 (estimate)
Flammpunkt: 110 °C · >110°C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
pka: 2.22 · 2.22±0.50(Predicted)
Aggregatzustand: Crystalline Powder or Crystals
Farbe: White to light yellow
BRN: 1979922 · 1979922
Stabilität: Moisture Sensitive
Major Application: diagnostic assay manufacturinghematologyhistology
InChI: 1S/C17H17NO2/c1-2-20-16(19)13-18-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
InChIKey: QUGJYNGNUBHTNS-UHFFFAOYSA-N
SMILES: CCOC(=O)C\N=C(/c1ccccc1)c2ccccc2
LogP: 1.35 · 1.35-3.18 at 25℃ and pH0-14
CAS Datenbank: 69555 · 69555-14-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 90.5% (38 of 42) of all reports.

Not Classified

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory InformationStatus: Cease Manufacture Update: 01-07-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/5772

Hazard Classes and CategoriesNot Classified

Sicherheitsdaten

F: 10-21
wgk: 3
ridadr: UN 3077 9 / PGIII
hs_code: 29224999
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-36/37-26
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Carc. 1B