CAS 6711-48-4 N'-(3-(Dimethylamino)propyl)-N,N-dimethyl-1,3-propanediamine (HCID 81207)

部分構造検索類似構造を探す

基本情報

CAS: 6711-48-4
標準SMILES: CN(C)CCCNCCCN(C)C
InChIKey: BXYVQNNEFZOBOZ-UHFFFAOYSA-N
分子式: C10H25N3
平均分子量: 187.33 g/mol
単同位体質量: 187.2048478

概要

structure given in first source

名称と識別子

優先名称: N'-(3-(Dimethylamino)propyl)-N,N-dimethyl-1,3-propanediamine
IUPAC: N-[3-(dimethylamino)propyl]-N',N'-dimethylpropane-1,3-diamine
現地名: N,N,N',N'-テトラメチル-4-アザヘプタン-1,7-ジアミン
英語名: 3,3'-IMINOBIS(N,N-DIMETHYLPROPYLAMINE)
分子式: C10H25N3
分子量: 187.33

名称と別名

6711-48-43,3'-Iminobis(N,N-dimethylpropylamine)TetramethyldipropylenetriamineBis(3-dimethylaminopropyl)amineBis(3-dimethylamino-1-propyl)amine2,6,10-Triazaundecane, 2,10-dimethyl-N,N,N',N'-TetramethyldipropylenetriamineDipropylamine, 3,3'-bis(dimethylamino)-EINECS 229-761-9Dipropylenetriamine, N,N,N',N'-tetramethyl-N'-(3-(Dimethylamino)propyl)-N,N-dimethyl-1,3-propanediamineCW8R6R660G

名称をさらに表示

3,3'-イミノビス(N,N-ジメチル-1-プロパンアミン)N,N-ビス[3-(ジメチルアミノ)プロピル]アミンN,N,N',N'-テトラメチル-4-アザヘプタン-1,7-ジアミンN,N-ジメチル-N'-(3-ジメチルアミノプロピル)-1,3-プロパンジアミンN'-[3-(ジメチルアミノ)プロピル]-N,N-ジメチル-1,3-プロパンジアミンN,N'-(イミノビストリメチレン)ビス(N,N-ジメチルアミン)ビス[3-(ジメチルアミノ)プロピル]アミンN,N'-[イミノビス(トリメチレン)]ビス(ジメチルアミン)3,3'-イミノビス(N,N-ジメチルプロピルアミン)N,N,N′,N′-テトラメチル-4-アザヘプタン-1,7-ジアミンN,N′-[イミノビス(トリメチレン)]ビス(ジメチルアミン)N,N′-(イミノビストリメチレン)ビス(N,N-ジメチルアミン)

物性

構造計算による物性

XLogP: 0.6
極性表面積: 18.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 8
重原子数: 13
形式電荷: 0
複雑度: 90.3

実験および物理化学的性質

Physical DescriptionLiquid

Collision Cross Section142.7 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7044974]

物理化学的性質

融点: 78 °C · −78 °C(lit.)
沸点: 128 · 128-131 °C20 mm Hg(lit.)
比重(密度): 0.841 g/mL · 0.841 g/mL at 25 °C(lit.)
蒸気圧: 30 Pa · 30Pa at 20℃
屈折率: 20 · n20/D 1.449(lit.)
闪点: 209 °F · 209 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: soluble in Chloroform, Methanol
外見: clear liquid
酸解離定数(Pka): 10.4 · 10.40±0.19(Predicted)
色: Colorless to Almost colorless
水溶解度: 425 g/L · 425g/L at 20℃
InChI: 1S/C10H25N3/c1-12(2)9-5-7-11-8-6-10-13(3)4/h11H,5-10H2,1-4H3

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P262, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 286 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

Chemical: 1,3-Propanediamine, N3-[3-(dimethylamino)propyl]-N1,N1-dimethyl-

1,3-Propanediamine, N3-[3-(dimethylamino)propyl]-N1,N1-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediamine, N3-[3-(dimethylamino)propyl]-N1,N1-dimethyl- 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: 03-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13171

1,3-Propanediamine, N'-[3-(dimethylamino)propyl]-N,N-dimethyl-: 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.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

wgk: 1
tsca: TSCA listed
rtecs: JM1925000
ridadr: UN 2922 8/PG 3
hs_code: 2921.29.0055
risk_code: 21/22-34
消防法: 危-4-3-III
hazard_code: C

化学と産業

用途と製造

U.S. Production2023: 7,000,000 - <8,500,000 lb

Consumer UsesNot Known or Reasonably Ascertainable

Industry UsesCatalyst

General Manufacturing Information · 2 件

Synthetic Rubber Manufacturing

1,3-Propanediamine, N3-[3-(dimethylamino)propyl]-N1,N1-dimethyl-: ACTIVE

応用分野 · 1 件

使用3,3′-Iminobis(N,N-dimethylpropylamine) may be used:in the synthesis of dimeric quaternary alkylammonium conjugates of sterolsas nitrogen containing tridentate lignand in the preparation of [3,3′-iminobis(N,N-dimethylpropylamine)](4′-methoxyflavonolato)zinc(II) perchlorate complexin the preparation of 2-[[[N,N-bis[3-(N,N-dimethylamino)propyl]amino]carbonyl]-1-methyl-4-nitropyrrole and 3-(9-anthracenyl)- N,N-bis[3-(N,N-dimethylamino)propyl]-5-methyl-4-isoxazole carboxamide