N,N''-Di-Z-diethylenetriamine

HCID 4367374CAS 160256-75-7

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Grundinformationen

Standard-SMILES: O=C(NCCNCCNC(=O)OCc1ccccc1)OCc1ccccc1
InChIKey: DWPBEWIGNADCAX-UHFFFAOYSA-N
Summenformel: C20H25N3O4
Durchschnittliche Molmasse: 371,4 g/mol
Monoisotopische Masse: 371,18450629

Namen und Bezeichner

Bevorzugter Name: N,N''-Di-Z-diethylenetriamine
IUPAC: benzyl N-[2-[2-(phenylmethoxycarbonylamino)ethylamino]ethyl]carbamate
Englischer Name: DIBENZYL 2,2'-IMINOBIS(ETHYLCARBAMATE)
Summenformel: C20H25N3O4
Molmasse: 371.43

Namen und Synonyme

N,N''-Di-Z-diethylenetriamineRefChem:821566626-460-8160256-75-7Z-EDA-EDA-ZDibenzyl (azanediylbis(ethane-2,1-diyl))dicarbamateMFCD01863761Dibenzyl 2,2'-iminobis(ethylcarbamate)benzyl N-[2-[2-(phenylmethoxycarbonylamino)ethylamino]ethyl]carbamateC20H25N3O410-Oxa-2,5,8-triazaundecanoic acid, 9-oxo-11-phenyl-, phenylmethyl esterDIBENZYL 2,2/'-IMINOBIS(ETHYLCARBAMATE)

Weitere Namen anzeigen

CAS_160256-75-7N,N″-Di-Z-diethylenetriamineN,N''-Di-Z-diethylenetriamine≥ 97% (HPLC)N,N''-DI-BENZYLOXYCARBONYL-DIETHYLENETRIAMINEN1-Cbz-N2-[2-(Cbz-amino)ethyl]ethane-1,2-diamine

N,N"-Di-Z-diethylenetriaminebenzyl n-{2-[(2-{[(benzyloxy)carbonyl]amino}ethyl)amino]ethyl}carbamatebis(benzyloxycarbonylaminoethyl)-amineN,N inverted exclamation marka-Di-Z-diethylenetriamineSCHEMBL5019074DTXSID30402452DWPBEWIGNADCAX-UHFFFAOYSA-NAKOS027250981

Datenbank-Bezeichner

CAS: 160256-75-7
PubChem CID: 4367374
DTXSID: DTXSID30402452
EC Number: 626-460-8
Nikkaji: J1.822.067I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 88,7 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 12
Schwere Atome: 27
Formalladung: 0
Komplexität: 383

Physikochemische Eigenschaften

Schmelzpunkt: 70 · 70-74 °C
Siedepunkt: 581.773 · 581.773±50.00 °C(Press: 760.00 Torr)(predicted)
Dichte: 1.178 · 1.178±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 12.067 · 12.067±0.46(predicted)
BRN: 7083538 · 7083538
InChI: 1S/C20H25N3O4/c24-19(26-15-17-7-3-1-4-8-17)22-13-11-21-12-14-23-20(25)27-16-18-9-5-2-6-10-18/h1-10,21H,11-16H2,(H,22,24)(H,23,25)
InChIKey: DWPBEWIGNADCAX-UHFFFAOYSA-N
SMILES: O=C(NCCNCCNC(=O)OCc1ccccc1)OCc2ccccc2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 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.