Pentamethyldiethylenetriamine (HCID 18196)

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''-PentamethyldiethylenetriamineNSC 65659Diethylenetriamine, 1,1,4,7,7-pentamethyl-

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 221-201-1BRN 17413963274UTY3HL1,2-Ethanediamine, N-[2-(dimethylamino)ethyl]-N,N',N'-trimethyl-NSC-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 물성

XLogP: 0.3
극성 표면적: 9.7 Å²
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 · 2건

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℃)
폭발한계: 1.1 · 1.1-5.7%(V)
수용성: 물에 섞임.
BRN: 1741396 · 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: -2.1 at · -2.1 at 25℃
EPA: 1 · 1,1,4,7,7-Pentamethyldiethylenetriamine (3030-47-5)

화학적 성질

colourless liquid with an amine odour

안전 및 규제

GHS 분류

GHS Classification · 6건

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 · 4건

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/14451

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 · 1건

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 · 5건

Acute Tox. 4 (98%)

Skin corrosion - category 1B

Flammable liquids - Category 3

Acute Tox. 3 *

독성 정보

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: IE2100000
ridadr: UN 2734 8/PG 2
독성: LD50 orally in Rabbit: 1330 mg/kg LD50 dermal Rabbit 230 mg/kg
HS 번호: 29212900
risk_code: 22-24-34-10
hazard_code: T
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 8
기존화학 물질: KE-11153
F 고인화성물질: 10-34
자연 발화 온도: 311 °F
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 4 OralEye Dam. 1Skin Corr. 1B
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

용도 및 제조

Uses · 2건

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 · 2건

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