基本情報
- CAS
10563-26-5- 標準SMILES
NCCCNCCNCCCN- InChIKey
RXFCIXRFAJRBSG-UHFFFAOYSA-N- 分子式
- C8H22N4
- 平均分子量
- 174.29 g/mol
- 単同位体質量
- 174.18444672
概要
3,2,3-tetramine is a tetramine and a polyazaalkane.
名称と識別子
- 優先名称
- N,N'-bis(3-aminopropyl)ethylenediamine
- IUPAC
- N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
- 現地名
- N,N'-ビス(3-アミノプロピル)エチレンジアミン
- 英語名
- N,N'-Bis(3-aminopropyl)ethylenediamine
- 分子式
- C8H22N4
- 分子量
- 174.29
名称と別名
10563-26-5N,N'-Bis(3-aminopropyl)ethylenediamine1,5,8,12-Tetraazadodecane1,3-Propanediamine, N,N''-1,2-ethanediylbis-N,N'-Bis(3-aminopropyl)-1,2-diaminoethaneN,N'-Bis(gamma-aminopropyl)diaminoethaneN,N'-Di(3-aminopropyl)-1,2-ethylenediamine1,3-Propanediamine, N,N''-ethylenebis-EINECS 234-147-9NSC 1808230EXW8894XX4,7-diazadecane-1,10-diamine
名称をさらに表示
N,N'-ビス(3-アミノプロピル)エチレンジアミンN,N'-ビス(3-アミノプロピル)エタン-1,2-ジアミン4,7-ジアザ-1,10-デカンジアミン3,3'-(エチレンジイミノ)ビス(1-プロパンアミン)4,7-ジアザデカン-1,10-ジアミン3,3'-(エチレンビスイミノ)ビス(1-プロパンアミン)N,N'-ビス(3-アミノプロピル)-1,2-エタンジアミン1,2-ビス(3-アミノプロピルアミノ)エタンN,N''-エチレンビス(1,3-プロパンジアミン)1,5,8,12-テトラアザドデカンN,N''-エチレンビス(トリメチレンジアミン)N,N''-エチレンビス(プロパン-1,3-ジアミン)N,N′-ビス(3-アミノプロピル)エチレンジアミンN,N′‐ビス(3‐アミノプロピル)エチレンジアミンN,N'-ビス(3-アミノプロピル)-1,2-エチレンジアミンN,N'-ビス(3-アミノプロピル)-1,2-エチレンジアミン, 96%TATA1,2-BIS(3-AMINOPROPYLAMINO)ETHANEN1,N1'-(Ethane-1,2-diyl)bis(propane-1,3-diamine)N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamineN4-AMINEFentacat 263,2,3-tetramineN,N'-BIS(3-AMINOPROP
N4 AMINENSC-180823DTXSID2065127EC 234-147-91,3-Propanediamine, N1,N1'-1,2-ethanediylbis-3,2,3-TETBIS(3-AMINOPROPYL)ETHYLENEDIAMINE, N,N'-N,N'-BIS(.GAMMA.-AMINOPROPYL)DIAMINOETHANE
データベース識別子
- CAS
10563-26-5- PubChem CID
- 25378
- DTXSID
DTXSID2065127- ChEMBL
CHEMBL259148- ChEBI
CHEBI:39476- UNII
- 0EXW8894XX
- EC Number
- 234-147-9
- Nikkaji
- J226.991K
物性
構造計算による物性
- XLogP
- -1.8
- 極性表面積
- 76.1 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 4
- 回転可能結合数
- 9
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 67.5
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Amines, Aliphatic
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
Large Crystals; Liquid
Clear colorless to pale yellow liquid; [Acros Organics MSDS]
物理化学的性質
- 融点
- -1.5 °C · -1.5 °C
- 沸点
- 150 · 150-160 °C5 mm Hg(lit.)
- 比重(密度)
- 0.952 g/mL · 0.952 g/mL at 25 °C(lit.)
- 蒸気圧
- 2.2 hPa · 2.2hPa at 20℃
- 屈折率
- 20 · n20/D 1.491(lit.)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- 2 · Keep in dark place,Sealed in dry,2-8°C
- 外見
- 液体
- 酸解離定数(Pka)
- 10.49 · 10.49±0.10(Predicted)
- 色
- 無色～淡黄色
- PH
- 12 · >12 (10g/l, H2O, 20℃)
- 水溶解度
- 1000 g/L · 1000g/L at 20℃
- BRN
- 2203748 · 2203748
- InChI
- 1S/C8H22N4/c9-3-1-5-11-7-8-12-6-2-4-10/h11-12H,1-10H2
- InChIKey
- RXFCIXRFAJRBSG-UHFFFAOYSA-N
- SMILES
- NCCCNCCNCCCN
- LogP
- -1.55 at · -1.55 at 23℃
- CAS データベース
- 10563 · 10563-26-5(CAS DataBase Reference)
- EPAの化学物質情報
- 1 · 1,3-Propanediamine, N,N''-1,2-ethanediylbis- (10563-26-5)
化学的性質
化学的特性CLEAR COLOURLESS TO PALE YELLOW LIQUID
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H302 (98.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 218 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: 1,3-Propanediamine, N,N''-1,2-ethanediylbis-
1,3-Propanediamine, N1,N1'-1,2-ethanediylbis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediamine, N1,N1'-1,2-ethanediylbis- 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: N,N'-bis(3-aminopropyl)ethylenediamine (EC: 234-147-9)
1,3-Propanediamine, N,N''-1,2-ethanediylbis-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards Summary
Causes burns; May cause skin sensitization; Harmful by ingestion; Toxic by skin absorption; [ECHA REACH Registrations] A skin sensitizer in Buehler test of guinea pigs; Decreased corpora lutea, implantations, gestation index, and mean litter sizes, 5 of 9 pregnant females delivering offspring, and histopathological changes of the lung, stomach, spleen, kidney, adrenals, and eyes observed in oral study of rats at 300 mg/kg/day; [EPA - TSCATS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Acros Organics MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (98.6%)
毒性情報
Adverse Effects
Reproductive Toxin - A chemical that is toxic to the reproductive system, including defects in the progeny and injury to male or female reproductive function. Reproductive toxicity includes developmental effects. See Guidelines for Reproductive Toxicity Risk Assessment.
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TX8032950
- ridadr
- UN 2810 6.1/PG 2
- 毒性
- rabbit,LD50,skin,190mg/kg (190mg/kg),National Technical Information Service. Vol. OTS0539630,
- hs_code
- 29212900
- risk_code
- 22-24-36/37/38
- 化審法
- (7)-5
- 消防法
- 危-4-3-III
- hazard_code
- T
- safety_code
- 26-36/37-45
- hazard_class
- 6.1
- packing_group
- II
- Hazard Classifications
- Acute Tox. 2 DermalAcute Tox. 4 OralEye Dam. 1Skin Corr. 1BSkin Sens. 1
- 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
UsesUsed as an intermediate; [EPA - TSCATS] Used in cleaning agents, as a laboratory reagent, monomer and auxiliary in polymerization reactions, and to make large scale chemicals; [ECHA REACH Registrations]
U.S. Production2023: 1,000,000 - <5,000,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesUV stabilizer
General Manufacturing Information
Computer and Electronic Product Manufacturing
1,3-Propanediamine, N1,N1'-1,2-ethanediylbis-: ACTIVE
応用分野
一般的な説明The condensation reaction of 1,2-bis(3-aminopropylamino)ethane [3,3′-ethylenediiminodipropylamine] with 4,6-dibenzofurandicarbaldehyde was studied.
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