디벤질2,2'-이미노비스(에틸카바메이트)

N,N''-Di-Z-diethylenetriamine

HCID 4367374CAS 160256-75-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(NCCNCCNC(=O)OCc1ccccc1)OCc1ccccc1
InChIKey: DWPBEWIGNADCAX-UHFFFAOYSA-N
분자식: C20H25N3O4
평균 분자량: 371.4 g/mol
단동위원소 질량: 371.18450629

이름 및 식별자

우선 이름: N,N''-Di-Z-diethylenetriamine
IUPAC: benzyl N-[2-[2-(phenylmethoxycarbonylamino)ethylamino]ethyl]carbamate
현지명: 디벤질2,2'-이미노비스(에틸카바메이트)
영어명: DIBENZYL 2,2'-IMINOBIS(ETHYLCARBAMATE)
분자식: C20H25N3O4
분자량: 371.43

이름 및 동의어

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)

이름 더 보기

디벤질2,2'-이미노비스(에틸카바메이트)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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 88.7 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 12
무거운 원자 수: 27
형식 전하: 0
복잡도: 383

물리화학적 성질

녹는점: 70 · 70-74 °C
끓는 점: 581.773 · 581.773±50.00 °C(Press: 760.00 Torr)(predicted)
밀도: 1.178 · 1.178±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (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

화학적 성질

Off-white solid

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

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

안전 데이터

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
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

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

상·하류 제품 정보

상류 원료

공급사32 곳

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]

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