N-オクタデシル-1-オクタデカンアミン

Dioctadecylamine

HCID 66989CAS 112-99-2

部分構造検索類似構造を探す

基本情報

標準SMILES: CCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCC
InChIKey: HKUFIYBZNQSHQS-UHFFFAOYSA-N
分子式: C36H75N
平均分子量: 522 g/mol
単同位体質量: 521.5899514

名称と識別子

優先名称: Dioctadecylamine
IUPAC: N-octadecyloctadecan-1-amine
現地名: N-オクタデシル-1-オクタデカンアミン
英語名: Dioctadecylamine
分子式: C36H75N
分子量: 521.99

名称と別名

Dioctadecylamine112-99-2Distearylamine1-Octadecanamine, N-octadecyl-569INV7SP8GENAMIN SH 200ARMEEN 2-18DTXSID8059425RefChem:589652DTXCID4033267204-020-2n-octadecyloctadecan-1-amine

名称をさらに表示

ジオクタデシルアミンジステアリルアミンN-オクタデシル-1-オクタデカンアミンN-オクタデシルオクタデカン-1-アミンDODAFENTAMINE SA18AURORA KA-7662Dioctadecylamine(DODA)bisdecaoctalkaneylaminen-octadecyl-1-octadecanaminN-octadecyl-1-Octadecanamine

MFCD00048494DODA, DistearylamineEINECS 204-020-2UNII-569INV7SP8distearyl amineDioctadecyl aminebis-octadecylaminebis(octadecyl)amine

データベース識別子

CAS: 112-99-2
PubChem CID: 66989
DTXSID: DTXSID8059425
UNII: 569INV7SP8
EC Number: 204-020-2
Nikkaji: J193.608E

物性

構造計算による物性

XLogP: 17.5
極性表面積: 12 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 34
重原子数: 37
形式電荷: 0
複雑度: 332

物理化学的性質

融点: 71 · 71-73 °C
沸点: 524.75 °C · 524.75°C (estimate)
比重(密度): 0.9086 · 0.9086 (estimate)
屈折率: 1.4841 · 1.4841 (estimate)
溶解性: 水: 溶ける(lit.)
酸解離定数(Pka): 10.84 · 10.84±0.19(Predicted)
水溶解度: water: soluble(lit.)
BRN: 1801688 · 1801688
InChI: 1S/C36H75N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3
InChIKey: HKUFIYBZNQSHQS-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCC
EPAの化学物質情報: 1 · 1-Octadecanamine, N-octadecyl- (112-99-2)

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H315 (98.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 60 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315: Causes skin irritation [Warning Skin corrosion/irritation]

危険有害性情報

Regulatory Information · 2 件

Chemical: 1-Octadecanamine, N-octadecyl-

1-Octadecanamine, N-octadecyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Fatty amines, di(long chain)alkyl: Human health tier II assessment

Hazard Classes and Categories · 2 件

Skin Irrit. 2 (98.3%)

Skin irritation - category 2

安全データ

F: 10-34
wgk: 3
tsca: TSCA listed
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing Information1-Octadecanamine, N-octadecyl-: ACTIVE

応用分野 · 2 件

使用Dioctadecylamine (DODA) is suitable reagent used in the synthesis of the following:Dioctadecylamine-BCN (bicyclo[6.1.0]nonyne) conjugate.Lipid derivatives of bisethylnorspermine (BSP).Functional VP (N-vinylpyrrolidone ) polymers.It may be used in the following studies:As a reactant in the synthesis of 4,4′-azobis(4-cyano-N,N-dioctadecyl)pentanamide (DODA-501) by reacting with disuccinimidyl 4,4′-azobis(4-cyanovalerate).As a reagent in the synthesis of dioctadecyl heptapeptides.As a phase transfer and stabilizer agent for gold nanoparticles (AuNPs) in non-polar solvent.

一般的な説明Dioctadecylamine (DODA), a secondary amine, is a fatty amine derivative. Its biodegradation potential has been assessed. It has been observed that in aqueous medium DODA self organizes into plate like structures. Its partial charge distribution as a function of its conformation has been analyzed. The phase diagram of dioctadecylamine Langmuir monolayers has been determined and investigations show it does not form a monolayer above pH 3.9. DODA has been utilized in forming liposomes, cationic lipids or lipid chelating agents.