4-sec-ブチルアニリン

Benzenamine, 4-(1-methylpropyl)-

HCID 121771

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 30273-11-1
標準SMILES: CCC(C)c1ccc(N)cc1
InChIKey: NVVVQTNTLIAISI-UHFFFAOYSA-N
分子式: C10H15N
平均分子量: 149.23 g/mol
単同位体質量: 149.12044948

名称と識別子

優先名称: Benzenamine, 4-(1-methylpropyl)-
IUPAC: 4-butan-2-ylaniline
現地名: 4-sec-ブチルアニリン
英語名: 4-SEC-BUTYLANILINE
分子式: C10H15N
分子量: 149.23

名称と別名

4-sec-Butylaniline30273-11-1Benzenamine, 4-(1-methylpropyl)-4-Amino-sec-butylbenzeneEINECS 250-108-9DTXSID00865535RefChem:561826DTXCID80813933250-108-94-(sec-butyl)aniline4-butan-2-ylanilinep-sec-Butylaniline

名称をさらに表示

4-sec-ブチルアニリンp-sec-ブチルアニリン4-(1-メチルプロピル)ベンゼンアミン(4-SEC-ブチルフェニル)アミンAKOS BBS-000037014-(2-BUTYL)ANILINE4-sec-butylbenzenamine4-sec-Butylaniline >4-SEC-BUTYLANILINE 98%4-(secbutyl)benzeneamine

4-(butan-2-yl)anilineMFCD00010223N-(4-sec-butyl-phenyl)-amine(4-sec-butylphenyl)amine(R)-4-(sec-Butyl)anilineAKOS016039392GS-3260SB47733

データベース識別子

CAS: 30273-11-1
PubChem CID: 121771
DTXSID: DTXSID00865535
EC Number: 250-108-9
Nikkaji: J208.127J

物性

構造計算による物性

XLogP: 2.8
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: 2
重原子数: 11
形式電荷: 0
複雑度: 103

物理化学的性質

融点: 1.08 °C · 1.08°C (estimate)
沸点: 244 · 244-245 °C727 mm Hg(lit.)
比重(密度): 0.977 g/mL · 0.977 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.537(lit.)
闪点: 226 °F · 226 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: clear liquid
酸解離定数(Pka): 5.02 · 5.02±0.10(Predicted)
色: Colorless to Yellow
CAS データベース: 30273 · 30273-11-1(CAS DataBase Reference)
EPAの化学物質情報: 4 · Benzenamine, 4-(1-methylpropyl)- (30273-11-1)

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 52 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: Benzenamine, 4-(1-methylpropyl)-

Benzenamine, 4-(1-methylpropyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: 2810
hs_code: 2921490090
risk_code: 36/37/38
化審法: (3)-206
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
packing_group: III

化学と産業

用途と製造

General Manufacturing InformationBenzenamine, 4-(1-methylpropyl)-: ACTIVE

応用分野

使用4-(1-Methylpropyl)aniline is a useful reagent in the preparation of [dimethyl(dioxo)purinyl]alkanecarboxamides as multifunctional TRPA1 antagonists and PDE4/7 inhibitors for the treatment of pains.