ベンジルジメチルデシルアミニウム·クロリド

C8-18-Alkydimethylbenzyl ammonium chlorides

HCID 13762CAS 63449-41-2

部分構造検索類似構造を探す

基本情報

標準SMILES: CCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-]
InChIKey: TTZLKXKJIMOHHG-UHFFFAOYSA-M
分子式: C19H34ClN
平均分子量: 311.9 g/mol
単同位体質量: 311.2379778

名称と識別子

優先名称: C8-18-Alkydimethylbenzyl ammonium chlorides
IUPAC: benzyl-decyl-dimethylazanium chloride
現地名: ベンジルジメチルデシルアミニウム·クロリド
英語名: Benzyldecyldimethylammonium chloride
分子式: C19H34ClN
分子量: 311.93

名称と別名

decyldimethylbenzylammonium chlorideCCRIS 4586C8-18-Alkydimethylbenzyl ammonium chloridesBenzenemethanaminium, N-decyl-N,N-dimethyl-, chlorideEINECS 264-151-6EINECS 213-521-5Benzyl(decyl)dimethylammonium chlorideN-Capryl-N,N-dimethylbenzylammonium chlorideBenzenemethanaminium, N-decyl-N,N-dimethyl-, chloride (1:1)RefChem:573164213-521-5965-32-2

名称をさらに表示

N-デシル-N,N-ジメチルベンゼンメタンアミニウム·クロリドデシルジメチルベンジルアミニウム·クロリドデシルベンジルジメチルアンモニウム·クロリドベンジルデシルジメチルアミニウム·クロリドベンジルジメチルデシルアミニウム·クロリドN-ベンジル-N，N-ジメチル-1-デカンアミニウム＝クロリドベンジルジメチルデシルアンモニウムクロリドBAC(C10)Benzalkonium chloride (C10)Benzyldimethyldecylaminium·chlorideBenzyldecyldimethylaminium·chlorideDecyldimethylbenzylammoniumchlorideDecyldimethylbenzylaminium·chlorideDecylbenzyldimethylammonium·chlorideN,N-benzyldimethyldecylammonium chloride

Benzyldimethyldecylammonium chlorideBENZYLDECYLDIMETHYLAMMONIUM CHLORIDERoccalTret-O-lite XC 511benzyl-decyl-dimethylazanium;chlorideN-Benzyl-N,N-dimethyldecan-1-aminium chlorideBenzalkonium chloride C10 (BAC C10)SCHEMBL29243

データベース識別子

CAS: 63449-41-2、965-32-2
PubChem CID: 13762
DTXSID: DTXSID7040780
ChEMBL: CHEMBL1878297
EC Number: 213-521-5

物性

構造計算による物性

極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 11
重原子数: 21
形式電荷: 0
複雑度: 216

物理化学的性質

融点: 50 · 50-60 °C
貯蔵温度: 2 · 2-8°C
溶解性: クロロホルム（微量）、DMSO（微量）、メタノール（微量）
外見: 個体
色: 白色～オフホワイト低融点～
BRN: 3578562 · 3578562
安定性: Hygroscopic
InChI: 1S/C19H34N.ClH/c1-4-5-6-7-8-9-10-14-17-20(2,3)18-19-15-12-11-13-16-19;/h11-13,15-16H,4-10,14,17-18H2,1-3H3;1H/q+1;/p-1
InChIKey: TTZLKXKJIMOHHG-UHFFFAOYSA-M
SMILES: [Cl-].CCCCCCCCCC[N+](C)(C)Cc1ccccc1
EPAの化学物質情報: Benzenemethanaminium, N-decyl-N,N-dimethyl-, chloride (965-32-2)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (98.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 56 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (98.2%)；Eye Irrit. 2 (98.2%)；STOT SE 3 (98.2%)

安全データ

F: 3-10
wgk: 3
tsca: TSCA listed
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

用途と製造

Household ProductsInformation on 33 consumer products that contain C8-18-Alkydimethylbenzyl ammonium chlorides in the following categories is provided:；• Commercial / Institutional；• Inside the Home；• Personal Care

General Manufacturing InformationBenzenemethanaminium, N-decyl-N,N-dimethyl-, chloride (1:1): INACTIVE

応用分野

使用Benzyldimethyldecylammonium chloride may be used as an analytical reference standard for the determination of the analyte in grapefruit seed extracts, milk samples and food products by chromatography based techniques.

一般的な説明Benzyldimethyldecylammonium chloride belongs to the benzalkonium (BAC) group of quaternary ammonium compounds (QACs). It is widely used as an antibacterial and antifungal agent for disinfection purposes.

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