N,N''-Di-Z-diethylenetriamine

HCID 4367374
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
160256-75-7
Standard SMILES
O=C(NCCNCCNC(=O)OCc1ccccc1)OCc1ccccc1
InChIKey
DWPBEWIGNADCAX-UHFFFAOYSA-N
Molecular formula
C20H25N3O4
Average molar mass
371.4 g/mol
Monoisotopic mass
371.18450629

Names & identifiers

Preferred name
N,N''-Di-Z-diethylenetriamine
IUPAC
benzyl N-[2-[2-(phenylmethoxycarbonylamino)ethylamino]ethyl]carbamate
English name
DIBENZYL 2,2'-IMINOBIS(ETHYLCARBAMATE)
Molecular formula
C20H25N3O4
Molecular weight
371.43

Names & synonyms

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)
Show more names
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

Database identifiers

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

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
88.7 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
12
Heavy atoms
27

Physicochemical properties

Melting point
70 · 70-74 °C
Boiling point
581.773 · 581.773±50.00 °C(Press: 760.00 Torr)(predicted)
Density
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)
Appearance
White to off-white Solid

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)；Aquatic Acute 1 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
ridadr
UN 3077 9/PG 3
risk_code
37/38-41-50
Signal word
Danger
Symbol(GHS)
GHS05,GHS07,GHS09

Chemistry & industry

Applications

UsesBuilding block to introduce e.g. a protected 2,2'-iminodi(ethylamine) scaffold in libraries.

Upstream & downstream products

Suppliers32 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

Related reactions

17 records
New reaction record

Compound notes

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