기본 정보
- 표준 SMILES
CCN(CC)CCNCCN(CC)CC- InChIKey
UICCSKORMGVRCB-UHFFFAOYSA-N- 분자식
- C12H29N3
- 평균 분자량
- 215.38 g/mol
- 단동위원소 질량
- 215.23614794
이름 및 식별자
- 우선 이름
- 1,2-Ethanediamine, N2-[2-(diethylamino)ethyl]-N1,N1-diethyl-
- IUPAC
- N-[2-(diethylamino)ethyl]-N',N'-diethylethane-1,2-diamine
- 영어명
- N,N,N',N'-tetraethyldiethylenetriamine
- 분자식
- C12H29N3
- 분자량
- 215.38
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
123-12-6- PubChem CID
- 67154
- DTXSID
DTXSID8059554- UNII
- KZM934ZRW7
- EC Number
- 204-603-1
- Nikkaji
- J27.942K
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 18.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 106
물리화학적 성질
- 끓는 점
- 130 · 130-135 °C(lit.)
- 밀도
- 0.837 g/mL · 0.837 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.448(lit.)
- 인화점
- 208 °F · 208 °F
- 산도 계수 (pKa)
- 10.45 · 10.45±0.25(Predicted)
- 물리적 상태
- liquid
- InChI
- InChI=1S/C12H29N3/c1-5-14(6-2)11-9-13-10-12-15(7-3)8-4/h13H,5-12H2,1-4H3
- InChIKey
- UICCSKORMGVRCB-UHFFFAOYSA-N
- SMILES
- C(N(CC)CC)CNCCN(CC)CC
- EPA
- 1 · 1,2-Ethanediamine, N'-[2-(diethylamino)ethyl]-N,N-diethyl- (123-12-6)
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (97.5%): 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 40 reports by companies from 3 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
규제 정보
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2735 8/PG 2
- 독성
- LD50 ivn-mus: 180 mg/kg CSLNX* NX#01684
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 위험 등급
- 8
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
용도 및 제조
응용 분야
용도N,N,N',N'-tetraethyldiethylenetriamine (TEDETA) has been used in the following studies:As N-substituted ethylenediamine ligand in the synthesis of [Ni(Et4dien)(NO2)2] (Et4dien=N,N,N′,N′-tetraethyldiethylenetriamine).As a reagent in the synthesis of adamantanyl connector, (2-(1-carbamoylmethyladamantane)di(ethyl(diethylmethylammonium))dichloride).As a reagent in the synthesis of aminated macroligand.As a reagent in the synthesis of precipiton ligand.As a multimodal ligand in the synthesis of P(S-DVB)-g-P(S-GMA)- TEDETA beads (poly(styrene-divinylbenzene)-graft-poly(styrene-glycidylmethacrylate)).
일반 설명N,N,N',N'-tetraethyldiethylenetriamine (TEDETA) is an N-substituted ethylenediamine ligand. Its boiling point, density and refractive index have been determined.
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