1,8-ジアミノオクタン

1,8-Octanediamine

HCID 24250CAS 373-44-4
部分構造検索類似構造を探す

基本情報

標準SMILES
NCCCCCCCCN
InChIKey
PWGJDPKCLMLPJW-UHFFFAOYSA-N
分子式
C8H20N2
平均分子量
144.26 g/mol
単同位体質量
144.16264864

概要

1,8-diaminooctane is an alkane-alpha,-diamine in which the two amino groups are separated by eight methylene groups. It derives from a hydride of an octane.

名称と識別子

優先名称
1,8-Octanediamine
IUPAC
octane-1,8-diamine
現地名
1,8-ジアミノオクタン
英語名
1,8-Diaminooctane
分子式
C8H20N2
分子量
144.26

名称と別名

1,8-Diaminooctaneoctane-1,8-diamine373-44-41,8-OctanediamineOctamethylenediamine1,8-Octylenediamine53A6694PIEDTXSID9073173CHEBI:73112RefChem:855909DTXCID5039309206-764-3
名称をさらに表示
1,8-ジアミノオクタンオクタン-1,8-ジアミン3,3'-エチレンビス(1-プロパンアミン)オクタメチレンジアミン1,8-オクタンジアミン1,8‐ジアミノオクタン1,8-ジアミノオクタン, 98%3,3′-エチレンビス(1-プロパンアミン)OCTAMETHYLENDIAMINEXin diaMine8-Diaminooctane1,8-Oktandiamin1,8-diaMine XinFENTAMINE HP-821,8- Octylamine
1,8-OctamethylenediamineOCTANE 1,8-DIAMINEDiaminooctaneEINECS 206-764-3octamethylene diamineUNII-53A6694PIEBRN 1735426alpha,omega-diaminooctane

データベース識別子

CAS
373-44-4
PubChem CID
24250
DTXSID
DTXSID9073173
ChEMBL
CHEMBL29392
ChEBI
CHEBI:73112
UNII
53A6694PIE
EC Number
206-764-3
Nikkaji
J38.924B

物性

構造計算による物性

XLogP
0.9
極性表面積
52 Ų
水素結合供与体数
2
水素結合受容体数
2
回転可能結合数
7
重原子数
10

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Amines, Aliphatic
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Physical DescriptionFaint yellow crystals, hygroscopic; [MSDSonline]

物理化学的性質

融点
50 · 50-52 °C(lit.)
沸点
225 · 225-226 °C(lit.)
比重(密度)
0.98 g/mL · 0.98 g/mL at 20 °C
蒸気圧
0.1 hPa · <0.1 hPa (20 °C)
屈折率
1.4618 · 1.4618 (estimate)
闪点
329 °F · 329 °F

化学的性質

化学的特性white to yellowish solidified crystalline mass

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 156 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: 1,8-Octanediamine

Status: Active Update: 13-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/12396

1,8-Diaminooctane: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCorrosive to the skin; Can cause chemical pneumonitis; [MSDSonline]
Hazard Classes and CategoriesAcute Tox. 4 (75%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

F
3-9-23
wgk
3
rtecs
RG8841500
ridadr
UN 3259 8/PG 3
毒性
LD50 orally in Rabbit: 500 mg/kg
hs_code
29212900

化学と産業

用途と製造

UsesUsed to produce fungicides; [Ullmann]
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

応用分野

用途有機合成原料。

使用1,8-Diaminooctane is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.

調製方法

純化方法Distil the diamine under vacuum in an inert atmosphere (N2 or Ar), cool and store the distillate in an inert atmosphere in the dark. The dihydrochloride has m 273-274o. [Nae & Le Helv Chim Acta 15 55 1955, Beilstein 4 III 612.]

上流・下流製品情報

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]

補足説明

定義ChEBI: 1,8-diaminooctane is an alkane-alpha,omega-diamine in which the two amino groups are separated by eight methylene groups. It derives from a hydride of an octane.

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