Pentamethyldiethylenetriamine (HCID 18196)

概要

Pentamethyldiethylenetriamine is a polyazaalkane. It is functionally related to a diethylenetriamine.

名称と識別子

優先名称: Pentamethyldiethylenetriamine
IUPAC: N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine
現地名: N,N,N',N'',N''-ペンタメチルジエチレントリアミン
英語名: Pentamethyldiethylenetriamine
分子式: C9H23N3
分子量: 173.3

名称と別名

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-

名称をさらに表示

N,N,N',N'',N''-ペンタメチルジエチレントリアミンN,N,N',N',3-ペンタメチル-3-アザペンタン-1,5-ジアミンN,N,N',N',3-ペンタメチル-3-アザペンタン-1,5-ジアミン-N,N'-(メチルイミノビスエチレン)ビス(ジメチルアミン)メチルイミノビス(エチレン)ビス(ジメチルアミン)N,N',N'-トリメチル-N-[2-(ジメチルアミノ)エチル]-1,2-エタンジアミン[(メチルイミノ)ビスエチレン]ビス(ジメチルアミン)N,N,N',N',3-ペンタメチル-3-アザ-1,5-ペンタンジアミンN-メチル-N,N-ビス(2-ジメチルアミノエチル)アミン2,2'-(メチルイミノ)ビス(N,N-ジメチルエタン-1-アミン)N-[2-(ジメチルアミノ)エチル]-N,N',N'-トリメチル-1,2-エタンジアミン[メチルイミノビス(エチレン)]ビス(ジメチルアミン)N,N,N',N'-テトラメチル-3-メチル-3-アザペンタン-1,5-ジアミンN,N,N',N',N''-ペンタメチルジエチレントリアミンビス[2-(ジメチルアミノ)エチル]メチルアミンビス[2-(ジメチルアミノ)エチル](メチル)アミン1,1,4,7,7-ペンタメチルジエチレントリアミンN-メチルビス[2-(ジメチルアミノ)エチル]アミンN,N,N',N'-テトラメチル[2,2'-(メチルイミノ)ビスエタンアミン]N,N,N',N'-テトラメチル[2,2'-メチルイミノビス(エタンアミン)]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

データベース識別子

CAS: 3030-47-5
PubChem CID: 18196
DTXSID: DTXSID7029249
ChEMBL: CHEMBL3183641
ChEBI: CHEBI:39475
UNII: 3274UTY3HL
EC Number: 221-201-1
Nikkaji: J53.928G

物性

構造計算による物性

XLogP: 0.3
極性表面積: 9.7 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 6
重原子数: 12
形式電荷: 0
複雑度: 89.9

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Amines, Aliphatic

Vapor Pressure0.3 [mmHg]

Physical Description · 2 件

Liquid

Colorless to pale yellow liquid; [Alfa Aesar MSDS]

物理化学的性質

融点: 20 °C · −20 °C(lit.)
沸点: 198 °C · 198 °C(lit.)
比重(密度): 0.83 g/mL · 0.83 g/mL at 25 °C(lit.)
蒸気圧: 0.23 mm · 0.23 mm Hg ( 20 °C)
屈折率: 20 · n20/D 1.442(lit.)
闪点: 128 °F · 128 °F
貯蔵温度: 30 °C · Store below +30°C.
外見: 粉
酸解離定数(Pka): 8.84 · 8.84±0.38(Predicted)
色: 白い
臭い (Odor): Fishy, ammoniacal odor
PH: 11.9 · 11.9 (100g/l, H2O, 20℃)
爆発限界(explosive limit): 1.1 · 1.1-5.7%(V)
水溶解度: 水に溶ける。
凝固点: -70 ℃ · <-70℃
BRN: 1741396 · 1741396
安定性: 安定。可燃性。強酸化剤、強酸とは相容れない。
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℃
CAS データベース: 3030 · 3030-47-5(CAS DataBase Reference)
EPAの化学物質情報: 1 · 1,1,4,7,7-Pentamethyldiethylenetriamine (3030-47-5)

化学的性質

化学的特性colourless liquid with an amine odour

安全と法規制

GHS分類

GHS Classification · 6 件

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)

危険有害性情報

Regulatory Information · 4 件

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 · 1 件

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 · 5 件

Acute Tox. 4 (98%)

Skin corrosion - category 1B

Flammable liquids - Category 3

Acute Tox. 3 *

毒性情報

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.

安全データ

F: 10-34
wgk: 2
tsca: TSCA listed
rtecs: IE2100000
ridadr: UN 2734 8/PG 2
毒性: LD50 orally in Rabbit: 1330 mg/kg LD50 dermal Rabbit 230 mg/kg
hs_code: 29212900
risk_code: 22-24-34-10
化審法: (2)-147
消防法: 危-4-3-III
hazard_code: T
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
自然発火温度: 311 °F
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 4 OralEye Dam. 1Skin Corr. 1B
ストレージクラス: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

化学と産業

用途と製造

Uses · 2 件

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 · 2 件

Plastics Material and Resin Manufacturing

1,2-Ethanediamine, N1-[2-(dimethylamino)ethyl]-N1,N2,N2-trimethyl-: ACTIVE

応用分野

用途樹脂用添加剤、触媒、ポリウレタン用重合触媒

使用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