N-(2-(다이메틸아미노)에틸)-N,N',N'-트리메틸-1,2-에탄디아민

N-(2-(다이메틸아미노)에틸)-N,N',N'-트리메틸-1,2-에탄디아민 · N-(2-(다이메틸아미노)에틸)-N,N',N'-트리메틸-1,2-에탄디아민(N-(2-(DIMETHYLAMINO... · PMDETA · PMDTA · N1-(2-(DiMethylaMino)ethyl)-N1,N2,N2-triMethylethane-1,2-diaMine · PMDPTA · FENTACAT 5 · entamethyldiethylenetriamine

https://huagongshe.com/ko/chemical/18196

N-(2-(다이메틸아미노)에틸)-N,N',N'-트리메틸-1,2-에탄디아민 분자 구조식

식별자 및 물리적 특성

CAS No.	3030-47-5
분자식	C9H23N3
평균 분자량	173.3 g/mol
단동위원소 질량	173.18919774 g/mol
SMILES	CN(C)CCN(C)CCN(C)C
InChIKey	UKODFQOELJFMII-UHFFFAOYSA-N
PubChem CID	18196
ChEMBL	CHEMBL3183641
ChEBI	CHEBI:39475
EC No.	221-201-1
DTXSID	DTXSID7029249
현지명	N-(2-(다이메틸아미노)에틸)-N,N',N'-트리메틸-1,2-에탄디아민

화학 및 물리적 성질

XLogP	0.3
극성 표면적	9.7
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	6
무거운 원자 수	12
형식 전하	0
복잡도	89.9
물질 분류	Nitrogen Compounds -> Amines, Aliphatic
증기압	0.3 [mmHg]0.23 mm Hg ( 20 °C)
Physical Description	LiquidColorless to pale yellow liquid[Alfa Aesar MSDS]
녹는점	−20 °C(lit.)
끓는 점	198 °C(lit.)
밀도	0.83 g/mL at 25 °C(lit.)
굴절률	n20/D 1.442(lit.)
인화점	128 °F
저장 조건	Store below +30°C.
물리적 상태	가루
pKa(산도 계수)	8.84±0.38(Predicted)
색상	하얀색
냄새	Fishy, ammoniacal odor
pH	11.9 (100g/l, H2O, 20℃)
폭발한계	1.1-5.7%(V)
용해도	물에 섞임.
BRN	1741396
안정성	안정적인. 가연성. 강한 산화제, 강산과 호환되지 않습니다.
InChI	1S/C9H23N3/c1-10(2)6-8-12(5)9-7-11(3)4/h6-9H2,1-5H3
InChIKey	UKODFQOELJFMII-UHFFFAOYSA-N
SMILES	CN(C)CCN(C)CCN(C)C
LogP(분배 계수)	-2.1 at 25℃
EPA	1,1,4,7,7-Pentamethyldiethylenetriamine (3030-47-5)

화학적 성질

colourless liquid with an amine odour

안전 및 규제

GHS 분류	DangerH302: Harmful if swallowed [Warning Acute toxicity, oral]P260, P262, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P405, and P501 (click each P-code to see the statement)H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
규제 정보	Chemical: 1,2-Ethanediamine, N-[2-(dimethylamino)ethyl]-N,N',N'-trimethyl-1,2-Ethanediamine, N1-[2-(dimethylamino)ethyl]-N1,N2,N2-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Ethanediamine, N1-[2-(dimethylamino)ethyl]-N1,N2,N2-trimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 26-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/144511,2-Ethanediamine, N-[2-(dimethylamino)ethyl]-N,N',N'-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
유해성 요약	Reversible liver toxicity and developmental toxicity (considered secondary to maternal toxicity) observed in 2-generation oral study of rats (LOAEL's of 100 mg/kg/day for parental animals and 300 mg/kg/day for developmental effects)[EPA - TSCATS] Oral LD50 (rat) = 1,630 uL/kg[RTECS] Causes burnsHarmful by ingestionToxic by skin absorption[Alfa Aesar MSDS]
Hazard Classes and Categories	Acute Tox. 4 (98%)Skin corrosion - category 1BFlammable liquids - Category 3Acute Tox. 3 *
유해 작용	Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
수질 위해 등급(WGK)	2

용도

Used as ligand in NMR study of complexation/aggregation with neopentyllithium1 and in the study of ligand effects on the selectivity of CO2 incorporation into α,ω-diynes