CAS 62637-93-8 Trimethylamine oxide dihydrate (HCID 198430)

基本情報

CAS: 62637-93-8
標準SMILES: C[N+](C)(C)[O-].O.O
InChIKey: PGFPZGKEDZGJQZ-UHFFFAOYSA-N
分子式: C3H13NO3
平均分子量: 111.14 g/mol
単同位体質量: 111.08954328

名称と識別子

優先名称: Trimethylamine oxide dihydrate
IUPAC: N,N-dimethylmethanamine oxide;dihydrate
現地名: トリメチルアミンN-オキシド二水和物
英語名: Trimethylamine N-oxide dihydrate
分子式: C3H13NO3
分子量: 111.14

名称と別名

trimethylamine oxide dihydrateTrimethylamine oxide, dihydrateN,N-Dimethylmethanamine oxide, dihydrateC73WZ0186WDTXSID00211694RefChem:1100467DTXCID3013418562637-93-8Trimethylamine-N-oxide dihydrateN,N-dimethylmethanamine oxide;dihydrateMFCD00149077Methanamine, N,N-dimethyl-, N-oxide, dihydrate

名称をさらに表示

トリメチルアミンN-オキシド二水和物トリメチルアミンオキシド二水和物トリメチルアミン N-オキシド二水和物トリメチルアミン-N-オキシド二水和物トリメチルアミン N-オキシド二水和物N,N-ジメチルメタンアミンN-オキシド・2水和物TMOTMANOTrimethylamine N-Oxide-D9amine N-oxideTMANO DihydrateTrimethylamine oxidtrimethylammoniumoxidhydratTriMethylaMine N-Oxide

Trimethylammoniumoxid hydratMethanamine oxide, N,N-dimethyl, dihydrateAmine N-oxide dihydrates6042N,N-Dimethylmethanamine N-Oxide Dihydrate;N,N-Dimethylmethanamine N-oxide--water (1/2)Trimethylammoniumoxid hydrat [Czech]N,N-dimethylmethanamine oxide dihydrate

データベース識別子

CAS: 62637-93-8
PubChem CID: 198430
DTXSID: DTXSID00211694
UNII: C73WZ0186W
EC Number: 678-501-4

物性

構造計算による物性

極性表面積: 20.1 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 7
形式電荷: 0
複雑度: 28.4

物理化学的性質

融点: 95 · 95-99 °C(lit.)
闪点: 95 °C · 95 °C
貯蔵温度: Sealed in dry,Room Temperature
溶解性: DMSO（少々）、メタノール（少々）
外見: 微結晶性粉末
色: ホワイトからオフホワイト
水溶解度: 水、エタノール、ジメチルスルホキシド、メタノールに可溶。熱クロロホルムにわずかに溶ける。エーテル、ベンゼン、炭化水素系溶剤に不溶。
Merck: 14 · 14,9711
BRN: 3612927 · 3612927
化粧品成分の機能: 香料保湿剤
InChI: InChI=1S/C3H9NO.2H2O/c1-4(2,3)5;;/h1-3H3;2*1H2
InChIKey: PGFPZGKEDZGJQZ-UHFFFAOYSA-N
SMILES: [N+]([O-])(C)(C)C.O.O
CAS データベース: 62637 · 62637-93-8(CAS DataBase Reference)

化学的性質

化学的特性white crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 52 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

Regulatory Information · 2 件

REACH registered substance: N,N-dimethylmethanamine oxide;dihydrate (EC: 678-501-4)

Methanamine, N,N-dimethyl-, N-oxide, dihydrate: 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

F: 4.10
wgk: 2
tsca: Yes
rtecs: YH2850000
hs_code: 29211990
risk_code: 36/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

使用Trimethylamine N-Oxide Dihydrate is as an oxygen transfer agent used to promote heterometallic cluster catalyzing coordinative hydrogenation. Trimethylamine N-Oxide Dihydrate is also used as a catalyst in the preparation of thermally stable TiO2 nanorod incorporated polymers and semiconductor/metal nanocomposites.

一般的な説明Trimethylamine N-oxide (TMAO) is an amphiphilic osmolyte that can counteract the denaturing effects of urea, pressure, and ice and stabilize the proteins.