N,N-ジメチルグリシン塩酸塩

N,N-Dimethylglycine hydrochloride

HCID 75605CAS 2491-06-7

部分構造検索類似構造を探す

基本情報

標準SMILES: CN(C)CC(=O)O.Cl
InChIKey: FKASAVXZZLJTNX-UHFFFAOYSA-N
分子式: C4H9NO2.ClH
平均分子量: 139.58 g/mol
単同位体質量: 139.04000624

概要

See also: N,N-Dimethylglycine (has active moiety).

名称と識別子

優先名称: N,N-Dimethylglycine hydrochloride
IUPAC: 2-(dimethylamino)acetic acid;hydrochloride
現地名: N,N-ジメチルグリシン塩酸塩
英語名: N,N-Dimethylglycine hydrochloride
分子式: C4H10ClNO2
分子量: 139.58

名称と別名

N,N-Dimethylglycine hydrochlorideN,N-Dimethylglycine HClYXK75EAE92N,N-Dimethylaminoacetic acid hydrochlorideRefChem:55680219-648-22491-06-7Dimethylglycine hydrochlorideGlycine, N,N-dimethyl-, hydrochlorideMFCD00012610N-Methylsarcosine hydrochlorideGlycine, N,N-dimethyl-, hydrochloride (1:1)

名称をさらに表示

N,N-ジメチルグリシン塩酸塩N,N‐ジメチルグリシン塩酸塩N,N-ジメチルグリシン塩酸塩, 99%DIMETHYLGLYCINE HCLDIMETHYL GLYCINE HYDROCHLORIDEDMG HYDROCHLORIDEH-GLY(2ME)-OH HCLIFLAB-BB F1929-1772N,N-DIMETHYL-GLY-OH HCLN,N-DiMethyl-d3-glycine HCl

(Dimethylamino)acetic acid hydrochloride2-(dimethylamino)acetic acid hydrochloride2-(dimethylamino)acetic acid;hydrochlorideN,N-Dimethylglycinium chlorideCCRIS 3352EINECS 219-648-2UNII-YXK75EAE92AI3-62132

データベース識別子

CAS: 2491-06-7
PubChem CID: 75605
DTXSID: DTXSID1062463
UNII: YXK75EAE92
EC Number: 219-648-2

物性

構造計算による物性

極性表面積: 40.5 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: 2
重原子数: 8
形式電荷: 0
複雑度: 70.1

物理化学的性質

融点: 189 · 189-194 °C(lit.)
沸点: 397.74 ℃[at · 397.74℃[at 101 325 Pa]
比重(密度): 1.326 · 1.326[at 20℃]
蒸気圧: 0 Pa · 0Pa at 25℃
貯蔵温度: 30 °C · Store below +30°C.
溶解性: 10 mg/ml; · DMSO: 10 mg/ml; PBS (pH 7.2): 10 mg/ml
外見: 結晶性粉末
色: 白い
臭い (Odor): ほとんどない
水溶解度: 100 g/L · 100g/L(20℃)
Merck: 14 · 14,3244
BRN: 3910578 · 3910578
InChI: 1S/C4H9NO2.ClH/c1-5(2)3-4(6)7;/h3H2,1-2H3,(H,6,7);1H
InChIKey: FKASAVXZZLJTNX-UHFFFAOYSA-N
SMILES: [Cl-].N(CC(=O)O)(C)C.[H+]
LogP: -0.3 · -0.3
CAS データベース: 2491 · 2491-06-7(CAS DataBase Reference)
EPAの化学物質情報: Glycine, N,N-dimethyl-, hydrochloride (2491-06-7)

化学的性質

化学的特性white crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 36.4% (4 of 11) of reports.

Warning

H315 (54.5%): 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 11 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 · 3 件

Chemical: Glycine, N,N-dimethyl-, hydrochloride

Status: Cease Manufacture Update: 22-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21092

Glycine, N,N-dimethyl-, hydrochloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

安全データ

wgk: 2
tsca: TSCA listed
rtecs: MB9995000
hs_code: 29212900
risk_code: 36/37/38
safety_code: 22-24/25
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing InformationGlycine, N,N-dimethyl-, hydrochloride (1:1): INACTIVE

応用分野 · 1 件

使用N,N-Dimethylglycine (DMG) is a natural N-methylated glycine that is used in comparative analysis with other N-methylated glycines such as sarcosine and βine. Used in the development of glycine-based ionic liquids and emulsifiers. Also it is potentially useful as a biomarker of protein degradation in COPD patients. DMG is used as a substrate to identify, differentiate and characterize amino acid methyltransferase(s).