디에틸에틸렌디아민

N,N-디에틸에틸렌디아민 · 디에틸에틸렌디아민 · N,N-다이에틸에틸렌다이아민 · DEEDA · DEAEA · N,N-DIETHYL-1,2-ETHANEDIAMINE · diethylethylenediamine · usafam-1

https://huagongshe.com/ko/chemical/60993

식별자 및 물리적 특성

CAS No.	100-36-7
분자식	C6H16N2
평균 분자량	116.2 g/mol
단동위원소 질량	116.13134852 g/mol
SMILES	CCN(CC)CCN
InChIKey	UDGSVBYJWHOHNN-UHFFFAOYSA-N
PubChem CID	60993
ChEMBL	CHEMBL52701
EC No.	202-844-7
DTXSID	DTXSID7057606
현지명	디에틸에틸렌디아민

화학 및 물리적 성질

XLogP	0.2
극성 표면적	29.3
수소 결합 공여자 수	1
수소 결합 수용자 수	2
회전 가능 결합 수	4
무거운 원자 수	8
형식 전하	0
복잡도	41
증기압	2.97 [mmHg]5.33hPa at 20℃
Physical Description	LiquidColorless liquid[Alfa Aesar MSDS]
녹는점	<-70°C
끓는 점	145-147 °C(lit.)
밀도	0.827 g/mL at 25 °C(lit.)
굴절률	n20/D 1.436(lit.)
인화점	87 °F
저장 조건	Store below +30°C.
용해도	soluble in Methanol, Water
물리적 상태	액체
pKa(산도 계수)	pK1:7.70(+2)pK2:10.46(+1) (25°C)
색상	무색투명~연황색
폭발한계	0.7-8.4%(V)
용해도	혼용 가능
BRN	605299
InChI	1S/C6H16N2/c1-3-8(4-2)6-5-7/h3-7H2,1-2H3
InChIKey	PQZTVWVYCLIIJY-UHFFFAOYSA-N
SMILES	CCN(CC)CCN
LogP(분배 계수)	0.1 at 25℃
NIST	1,2-Ethanediamine, N,N-diethyl-(100-36-7)
EPA	N,N-Diethylethylenediamine (100-36-7)

화학적 성질

CLEAR COLORLESS TO LIGHT YELLOW LIQUID

안전 및 규제

GHS 분류	DangerH226 (98.8%): Flammable liquid and vapor [Warning Flammable liquids]H302 (69.6%): Harmful if swallowed [Warning Acute toxicity, oral]H311 (96.3%): Toxic in contact with skin [Danger Acute toxicity, dermal]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (70.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H332 (26.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 161 reports by companies from 8 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.
규제 정보	Chemical: 1,2-Ethanediamine, N,N-diethyl-1,2-Ethanediamine, N1,N1-diethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Ethanediamine, N1,N1-diethyl- 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: 18-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/117132-Aminoethyldiethylamine: Does not have an individual approval but may be used under an appropriate group standard
화재 위험	· Flammable/combustible material.· May be ignited by heat, sparks or flames.· Vapors may form explosive mixtures with air.· Vapors may travel to source of ignition and flash back.· Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.).· Vapor explosion hazard indoors, outdoors or in sewers.

용도

N,N-Diethylethylenediamine is used in the syntheses of anti-malarials. In addition, it has been seem to induce apoptosis through a caspase-3 dependent pathway.