N,N''-Di-Z-diethylenetriamine (HCID 4367374)

名称と識別子

優先名称: N,N''-Di-Z-diethylenetriamine
IUPAC: benzyl N-[2-[2-(phenylmethoxycarbonylamino)ethylamino]ethyl]carbamate
英語名: DIBENZYL 2,2'-IMINOBIS(ETHYLCARBAMATE)
分子式: C20H25N3O4
分子量: 371.43

名称と別名

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)

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

XLogP: 2.2
極性表面積: 88.7 Å²
水素結合供与体数: 3
水素結合受容体数: 5
回転可能結合数: 12
重原子数: 27
形式電荷: 0
複雑度: 383

物理化学的性質

融点: 70 · 70-74 °C
沸点: 581.773 · 581.773±50.00 °C(Press: 760.00 Torr)(predicted)
比重(密度): 1.178 · 1.178±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
酸解離定数(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

化学的性質

化学的特性Off-white solid

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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

安全データ

wgk: 3
ridadr: UN 3077 9/PG 3
risk_code: 37/38-41-50
hazard_code: Xi,N
safety_code: 26-39-61
Hazard Classifications: Aquatic Acute 1Eye Dam. 1Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

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

上流・下流製品情報

上流原料

炭酸ベンジルフェニルカルボノシアニド酸ベンジル N-カルボベンゾキシオキシこはく酸イミドジエチレントリアミン

サプライヤー32 社

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]

N,N''-Di-Z-diethylenetriamine

基本情報