p-テトラデシルアニリン

p-Tetradecylaniline

HCID 145224

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 91323-12-5
標準SMILES: CCCCCCCCCCCCCCc1ccc(N)cc1
InChIKey: WKYFQPQIOXXPGE-UHFFFAOYSA-N
分子式: C20H35N
平均分子量: 289.5 g/mol
単同位体質量: 289.27695012

名称と識別子

優先名称: p-Tetradecylaniline
IUPAC: 4-tetradecylaniline
現地名: p-テトラデシルアニリン
英語名: 4-Tetradecylaniline
分子式: C20H35N
分子量: 289.5

名称と別名

91323-12-5p-TetradecylanilineDTXSID50238518RefChem:169387DTXCID00161009WKYFQPQIOXXPGE-UHFFFAOYSA-N4-Tetradecylaniline(4-tetradecylphenyl)amine4-n-TetradecylanilinMFCD000098044-tetradecylphenylamine4-n-tetradecylaniline

名称をさらに表示

p-テトラデシルアニリン4-テトラデシルアニリン4-Tertrdecyl anilineBenzenamine, 4-tetradecyl-

4-Tetradecylanitine4-Tetradecylaniline #4-Tetradecylaniline, 97%SCHEMBL1164527TIMTEC-BB SBB0079384-TETRADECYLANILINE 97%C20H35NALBB-023973

データベース識別子

CAS: 91323-12-5
PubChem CID: 145224
DTXSID: DTXSID50238518
EC Number: 629-156-3
Nikkaji: J236.414J

物性

構造計算による物性

XLogP: 8.3
極性表面積: 26 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: 13
重原子数: 21
形式電荷: 0
複雑度: 206

物理化学的性質

融点: 46 · 46-49 °C (lit.)
沸点: 408 · 408.0±14.0 °C(Predicted)
比重(密度): 0.897 · 0.897±0.06 g/cm3(Predicted)
闪点: 230 °F · >230 °F
酸解離定数(Pka): 4.95 · 4.95±0.10(Predicted)
外見: solid
InChI: 1S/C20H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-17-20(21)18-16-19/h15-18H,2-14,21H2,1H3
InChIKey: WKYFQPQIOXXPGE-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCc1ccc(N)cc1

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
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

応用分野 · 1 件

使用4-Tetradecylaniline has been used:as standard during the quantitative determination of trans content of fats and oils and margarine by FTIR spectroscopyto investigate the quenching of the triplet state of n-alkyl 3-nitrophenyl ethers in aqueous micellar sodium dodecyl sulfate (SDS) solutions by laser flash photolysisin amidation and esterification of oxidised single-walled carbon nanotubes (SWCNTs)