N-(2-(다이메틸아미노)에틸)-N,N',N'-트리메틸-1,2-에탄디아민
Pentamethyldiethylenetriamine
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기본 정보
- CAS
3030-47-5- 표준 SMILES
CN(C)CCN(C)CCN(C)C- InChIKey
UKODFQOELJFMII-UHFFFAOYSA-N- 분자식
- C9H23N3
- 평균 분자량
- 173.3 g/mol
- 단동위원소 질량
- 173.18919775
개요
Pentamethyldiethylenetriamine is a polyazaalkane. It is functionally related to a diethylenetriamine.
이름 및 식별자
- 우선 이름
- Pentamethyldiethylenetriamine
- IUPAC
- N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine
- 현지명
- N-(2-(다이메틸아미노)에틸)-N,N',N'-트리메틸-1,2-에탄디아민
- 영어명
- Pentamethyldiethylenetriamine
- 분자식
- C9H23N3
- 분자량
- 173.3
이름 및 동의어
3030-47-51,1,4,7,7-PentamethyldiethylenetriaminePentamethyldiethylenetriaminePMDETAPentamethyldiethylenetriaminekpmdienBis(2-dimethylaminoethyl)(methyl)amine2,5,8-Trimethyl-2,5,8-triazanonaneN,N',N''-PentamethyldiethylenetriamineN,N,N',N',N''-PentamethyldiethylenetriamineDiethylenetriamine, 1,1,4,7,7-pentamethyl-NSC 65659
이름 더 보기
N-(2-(다이메틸아미노)에틸)-N,N',N'-트리메틸-1,2-에탄디아민N-(2-(다이메틸아미노)에틸)-N,N',N'-트리메틸-1,2-에탄디아민(N-(2-(DIMETHYLAMINO...PMDTAN1-(2-(DiMethylaMino)ethyl)-N1,N2,N2-triMethylethane-1,2-diaMinePMDPTAFENTACAT 5entamethyldiethylenetriamine1,1,4,7,7-PentamethyldiethylentriaminN,N,N',N'',N''-Pentamethyldiethylenetriamine
DTXSID7029249EINECS 221-201-11,2-Ethanediamine, N-[2-(dimethylamino)ethyl]-N,N',N'-trimethyl-BRN 17413963274UTY3HLNSC-65659DTXCID109249N,N,N',N',N"-Pentamethyldiethylenetriamine
데이터베이스 식별자
- CAS
3030-47-5- PubChem CID
- 18196
- DTXSID
DTXSID7029249- ChEMBL
CHEMBL3183641- ChEBI
CHEBI:39475- UNII
- 3274UTY3HL
- EC Number
- 221-201-1
- Nikkaji
- J53.928G
물성
구조 계산 물성보충 중
- XLogP
- 0.3
- 극성 표면적
- 9.7 Ų
- 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
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Amines, Aliphatic
Vapor Pressure0.3 [mmHg]
Physical Description
Liquid
Colorless to pale yellow liquid; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 20 °C · −20 °C(lit.)
- 끓는 점
- 198 °C · 198 °C(lit.)
- 밀도
- 0.83 g/mL · 0.83 g/mL at 25 °C(lit.)
- 증기압
- 0.23 mm · 0.23 mm Hg ( 20 °C)
- 굴절률
- 20 · n20/D 1.442(lit.)
- 인화점
- 128 °F · 128 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 8.84 · 8.84±0.38(Predicted)
- 색상
- 하얀색
- 냄새
- Fishy, ammoniacal odor
- 수소이온지수(pH)
- 11.9 · 11.9 (100g/l, H2O, 20℃)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302: 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)
Danger
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)
유해성 정보
Regulatory Information
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)
REACH registered substance: Bis(2-dimethylaminoethyl)(methyl)amine (EC: 221-201-1)
1,2-Ethanediamine, N-[2-(dimethylamino)ethyl]-N,N',N'-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
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 burns; Harmful by ingestion; Toxic by skin absorption; [Alfa Aesar MSDS]
Hazard Classes and Categories
Acute Tox. 4 (98%)
Skin corrosion - category 1B
Flammable liquids - Category 3
화학 및 산업
용도 및 제조
Uses
Used to formulate adhesives-sealants, paints-coatings-thinners, polymers, and laboratory chemicals, to make fine and large scale chemicals, flexible and rigid foams, and rubber; [ECHA REACH Registrations]
Painting (Pigments, Binders, and Biocides) [Category: Paint]
U.S. Production2023: 1,000,000 - <5,000,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesCatalyst
General Manufacturing Information
Plastics Material and Resin Manufacturing
1,2-Ethanediamine, N1-[2-(dimethylamino)ethyl]-N1,N2,N2-trimethyl-: ACTIVE
응용 분야
용도Used 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
상·하류 제품 정보
하류 제품
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