Methyl N-(diphenylmethylidene)glycinate

Methyl N-(diphenylmethylene)glycinate · DPM-Gly-OMe · LIXC-011 Cell · Methyl diphenylmethyleneglycinate · Methyl 3-aza-4,4-diphenylbut-3-enoat · Methyl 3-aza-4,4-diphenylbut-3-enoate · methyl 2-(benzhydrylideneamino)acetate · Benzophenoneimine glycine Methyl Ester

https://huagongshe.com/de/chemical/563248

Molekülstruktur von Methyl N-(diphenylmethylidene)glycinate

Identifikatoren & physikalische Daten

CAS No.	81167-39-7
Summenformel	C16H15NO2
Durchschnittliche Molmasse	253,29 g/mol
Monoisotopische Masse	253,11027872 g/mol
SMILES	COC(=O)CN=C(c1ccccc1)c1ccccc1
InChIKey	PQTOLHHWLUCKSB-UHFFFAOYSA-N
PubChem CID	563248
EC No.	695-130-3
DTXSID	DTXSID30340284

Chemische & physikalische Eigenschaften

XLogP	3,5
Polarare Oberfläche (TPSA)	38,7
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	5
Schwere Atome	19
Formalladung	0
Komplexität	293
Schmelzpunkt	42-44C
Siedepunkt	342.8±34.0 °C(Predicted)
Dichte	1.05±0.1 g/cm3(Predicted)
Lagerbedingungen	Sealed in dry,2-8°C
pKa (Säurekonstante)	2.22±0.50(Predicted)
Aggregatzustand	Solid
Farbe	White to pale yellow
InChI	InChI=1S/C16H15NO2/c1-19-15(18)12-17-16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12H2,1H3
InChIKey	PQTOLHHWLUCKSB-UHFFFAOYSA-N
SMILES	C(OC)(=O)C/N=C(/C1=CC=CC=C1)\C1=CC=CC=C1

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard Classes and Categories	Acute Tox. 4 (33.3%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)
Zollcode	2925199590

Anwendungen & Verwendung

Verwenden

N-(Diphenylmethylene)glycine Methyl Ester (cas# 81167-39-7) is a compound useful in organic synthesis.