N-(Diphenylmethylene)glycine tert-butyl ester

HCID 688171CAS 81477-94-3

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Grundinformationen

Standard-SMILES: CC(C)(C)OC(=O)CN=C(c1ccccc1)c1ccccc1
InChIKey: YSHDPXQDVKNPKA-UHFFFAOYSA-N
Summenformel: C19H21NO2
Durchschnittliche Molmasse: 295,4 g/mol
Monoisotopische Masse: 295,15722891

Namen und Bezeichner

Bevorzugter Name: N-(Diphenylmethylene)glycine tert-butyl ester
IUPAC: tert-butyl 2-(benzhydrylideneamino)acetate
Englischer Name: N-(Diphenylmethylene)glycerine tert-butyl ester
Summenformel: C19H21NO2
Molmasse: 295.38

Namen und Synonyme

N-(Diphenylmethylene)glycine tert-butyl esterRefChem:828464805-438-381477-94-3tert-Butyl 2-((diphenylmethylene)amino)acetateDiphenylmethylene-Glycine t-butyl estertert-butyl 2-(benzhydrylideneamino)acetatetert-butyl 2-(diphenylmethyleneamino)acetateMFCD00134280N-(diphenylmethylene)glycine t-butyl esterN-(Diphenylmethylene)glycine, t-Butyl EsterN-(Diphenylmethylene)glycerine tert-butyl ester

Weitere Namen anzeigen

AURORA KA-6707ycine tert-ButyLBP-GLY-OTBU SCHIFF BASE(C6H5)2C=NCH2CO2C(CH3)3N-(Diphenylmethylene)glycinetert-butyl 2-((diphenylmethyleETHYL (N-DIPHENYMETHYLENE)GLYCINATE

tert-butyl N-(diphenylmethylidene)glycinatetert-butyl [(diphenylmethylene)amino]acetateDPM-Gly-OtBu(Diphenylmethyleneamino)acetic Acid tert-Butyl Estertert-butyl 2-[(diphenylmethylidene)amino]acetateGlycine, N-(diphenylmethylene)-, 1,1-dimethylethyl estertert-Butyl (Diphenylmethyleneamino)acetateDIPHENYLMETHYLENE GLYCINE T-BUTYL ESTER

Datenbank-Bezeichner

CAS: 81477-94-3
PubChem CID: 688171
DTXSID: DTXSID00350810
EC Number: 805-438-3
Nikkaji: J534.082I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,4
Polarare Oberfläche (TPSA): 38,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 6
Schwere Atome: 22
Formalladung: 0
Komplexität: 363

Physikochemische Eigenschaften

Schmelzpunkt: 51 · 51-53 °C(lit.)
Siedepunkt: 377.5 · 377.5±34.0 °C(Predicted)
Dichte: 1 · 1.00±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
pka: 2.31 · 2.31±0.50(Predicted)
Aggregatzustand: crystal
Farbe: white
Wasserlöslichkeit: Insoluble in water.
Stabilität: Moisture Sensitive
InChI: InChI=1S/C19H21NO2/c1-19(2,3)22-17(21)14-20-18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3
InChIKey: YSHDPXQDVKNPKA-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)C/N=C(/C1=CC=CC=C1)\C1=CC=CC=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.；There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).；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.