1,4-Bis(3-aminopropyl)piperazine (HCID 81629)

名称と識別子

優先名称: 1,4-Bis(3-aminopropyl)piperazine
IUPAC: 3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine
現地名: 1,4-ビス(3-アミノプロピル)ピペラジン
英語名: 1,4-Bis(3-aminopropyl)piperazine
分子式: C10H24N4
分子量: 200.32

名称と別名

1,4-Bis(3-aminopropyl)piperazineRefChem:4170327209-38-31,4-Piperazinedipropanamine3,3'-(Piperazine-1,4-diyl)bis(propan-1-amine)Bis(aminopropyl)piperazineN,N'-Bis(3-aminopropyl)piperazine3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amineMFCD00006161CCRIS 8915EINECS 230-589-1UNII-7GVX6C734B

名称をさらに表示

1,4-ビス(3-アミノプロピル)ピペラジン3,3'-(ピペラジン-1,4-ジイル)ビス(1-プロパンアミン)3,3'-(1,4-ピペラジンジイル)ビス(1-プロパンアミン)3,3'-(ピペラジン-1,4-ジイル)ビス(プロパン-1-アミン)ピペラジン-1,4-ビス(1-プロパンアミン)1,4-ジ(3-アミノプロピル)ピペラジン1,4-ピペラジンビス(プロパン-1-アミン)ピペラジン-1,4-ビス(プロパン-1-アミン)ビス(アミノプロピル)ピペラジン1,4-ピペラジンビス(プロピルアミン)1,4-ビス(3-アミノプロプル)ピペラジン3,3′-(ピペラジン-1,4-ジイル)ビス(1-プロパンアミン)3,3′-(ピペラジン-1,4-ジイル)ビス(プロパン-1-アミン)3,3′-(1,4-ピペラジンジイル)ビス(1-プロパンアミン)N,N′-ビス(3-アミノプロピル)ピペラジンBAPPRZLABOTEST-BB LT00454560BIS AMINOPROPYL PIPIRAZINE1,4-PIPERAZINEBIS(PROPYLAMINE)1,4-(BIS AMINOPROPYL) PIPERAZINE

7GVX6C734BDTXSID8022246Piperazine, 1,4-bis(3-aminopropyl)-N,N'-Bis(p-aminopropyl)piperazine1,4-Bis(3-aminoprop-1-yl)piperazine1 pound not4-Bis(3-aminopropyl)piperazine1,4-Di(3-aminopropyl)piperazineBAPP

データベース識別子

CAS: 7209-38-3
PubChem CID: 81629
DTXSID: DTXSID8022246
ChEMBL: CHEMBL41307
UNII: 7GVX6C734B
EC Number: 230-589-1
Nikkaji: J2.148.520I、J35.447C

物性

構造計算による物性

XLogP: -1.4
極性表面積: 58.5 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 6
重原子数: 14
形式電荷: 0
複雑度: 116

実験および物理化学的性質

Physical DescriptionLiquid

Collision Cross Section150.3 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID8022246]；150.2 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID8022246]

物理化学的性質

融点: 15 °C · 15 °C(lit.)
沸点: 150 · 150-152 °C2 mm Hg(lit.)
比重(密度): 0.973 g/mL · 0.973 g/mL at 25 °C(lit.)
蒸気密度: 6.9 · 6.9 (vs air)
蒸気圧: 0.133 Pa · 0.133Pa at 25℃
屈折率: 20 · n20/D 1.502(lit.)
闪点: 325 °F · 325 °F
貯蔵温度: 2 · 2-8°C, protect from light
外見: clear liquid
酸解離定数(Pka): 10.69 · 10.69±0.10(Predicted)
色: Colorless to Almost colorless
PH: 11.7 at · 11.7 at 20℃ and 1mg/L
水溶解度: 水に完全に混和します。
BRN: 111747 · 111747
InChI: 1S/C10H24N4/c11-3-1-5-13-7-9-14(10-8-13)6-2-4-12/h1-12H2
InChIKey: XUSNPFGLKGCWGN-UHFFFAOYSA-N
SMILES: NCCCN1CCN(CCCN)CC1
LogP: -1.43 at · -1.43 at 25℃ and pH12.5
表面張力: 39.96 mN/m · 39.96mN/m at 1g/L and 20℃
CAS データベース: 7209 · 7209-38-3(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1,4-Bis(3-aminopropyl)piperazine(7209-38-3)
EPAの化学物質情報: 1 · 1,4-Piperazinedipropanamine (7209-38-3)

化学的性質

化学的特性colorless to yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (58.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (78.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H412 (58.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 206 reports by companies from 10 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.

危険有害性情報

Regulatory Information · 5 件

Chemical: 1,4-Piperazinedipropanamine；Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.

1,4-Piperazinedipropanamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,4-Piperazinedipropanamine 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: 19-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/21266

1,4-Bis(3-aminopropyl)piperazine: 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.

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Hazard Classes and Categories · 2 件

Acute Tox. 4 (58.3%)；Skin Corr. 1B (100%)；Eye Dam. 1 (78.2%)；Aquatic Chronic 3 (58.3%)

Corrosives

法規制情報

Regulatory Information · 5 件

Chemical: 1,4-Piperazinedipropanamine；Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.

1,4-Piperazinedipropanamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,4-Piperazinedipropanamine 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: 19-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/21266

1,4-Bis(3-aminopropyl)piperazine: 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.

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: TK8700000
ridadr: UN 2735 8/PG 2
毒性: LD50 ivn-mus: 3500 mg/kg CPBTAL 20,2459,72
hs_code: 2933599590
risk_code: 34
化審法: (5)-962
消防法: 危-4-3-III
hazard_code: C
safety_code: 26-27-28-36/37/39-45
hazard_class: 8
packing_group: II
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

用途と製造

U.S. Production2023: 46,914 lb；2022: 50,684 lb；2021: 51,940 lb

Industry UsesAdhesion/cohesion promoter

General Manufacturing Information · 2 件

Adhesive Manufacturing

1,4-Piperazinedipropanamine: ACTIVE

応用分野 · 3 件

用途有機合成原料。

使用1,4-Bis(3-aminopropyl)piperazine was used to functionalize natural montmorillonite (M) and synthetic kanemite (K)1.

一般的な説明The thermodynamic parameters for protonation of 1,4-bis(3-aminopropyl)-piperazine (BAPP) were studied in aqueous solution using a potentiometric technique.