N,N-ジメチルグリシンメチル

Glycine, N,N-dimethyl-, methyl ester

HCID 81569CAS 7148-06-3

部分構造検索類似構造を探す

基本情報

標準SMILES: COC(=O)CN(C)C
InChIKey: LRZFEBJUJIQVDQ-UHFFFAOYSA-N
分子式: C5H11NO2
平均分子量: 117.15 g/mol
単同位体質量: 117.07897859

名称と識別子

優先名称: Glycine, N,N-dimethyl-, methyl ester
IUPAC: methyl 2-(dimethylamino)acetate
現地名: N,N-ジメチルグリシンメチル
英語名: N,N-DIMETHYLGLYCINE METHYL ESTER
分子式: C5H11NO2
分子量: 117.15

名称と別名

N,N-Dimethylglycine methyl ester7148-06-3Glycine, N,N-dimethyl-, methyl esterMethyl (dimethylamino)acetateBRN 1744788DTXSID60221693NSC 296513-04-00-01125 (Beilstein Handbook Reference)RefChem:663699DTXCID90144184Glycine, N,Ndimethyl, methyl ester678-389-7

名称をさらに表示

N,N-ジメチルグリシンメチル(ジメチルアミノ)酢酸メチルN,N-ジメチルグリシンメチルN,N-ジメチルグリシンメチルエステルメチル 2-(ジメチルアミノ)アセタート(CH3)2NCH2COOCH3methyl(dimethylamino)acetatemethyl N,N-dimethyl glycinaten,n-dimethyl-glycinmethylesterN,N-Dimethylglycine Methyl Ester >

methyl 2-(dimethylamino)acetateMFCD00059303Methyl (dimethylamino) acetateN,N-Dimethyl-glycine methyl esterNSC-29651methyl n,n-dimethylglycinatemethyl dimethylglycinatedimethylglycine methyl ester

データベース識別子

CAS: 7148-06-3
PubChem CID: 81569
DTXSID: DTXSID60221693
UNII: GDE26H4628
EC Number: 678-389-7
Nikkaji: J127.903C

物性

構造計算による物性

XLogP: 0.2
極性表面積: 29.5 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 8
形式電荷: 0
複雑度: 80

実験および物理化学的性質

Physical DescriptionColorless or pale yellow liquid; [Alfa Aesar MSDS]

Kovats Retention Index809；810

物理化学的性質

沸点: 134 · 134-135°C
比重(密度): 0 · 0,95 g/cm3
屈折率: 1.412 · 1.4120
闪点: 38 °C · 38°C
貯蔵温度: Refrigerator
酸解離定数(Pka): 7.22 · 7.22±0.28(Predicted)
外見: clear liquid
色: Colorless to Almost colorless
水溶解度: 水に溶ける。
BRN: 1744788 · 1744788
LogP: 0.16 · 0.160 (est)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 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

Hazards SummaryIntravenous LD50 (mouse) >50 mg/kg; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS]

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)

安全データ

rtecs: MC0011000
ridadr: 3272
hs_code: 2922.49.8000
risk_code: 10-36/37/38
消防法: 危-4-2-III
safety_code: 26-36
hazard_class: 3
packing_group: III

化学と産業

応用分野

使用N,N-Dimethylglycine methyl ester is used as a biochemical for proteomics research. It is also used as chemical and pharmaceutical intermediate.

上流・下流製品情報

下流製品

カルボキシラトメチルドデシルジメチルアンモニウム

サプライヤー47 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

常州金和生物科技有限公司18796930758 · [email protected]

山东前元高分子材料有限公司18678041314 18765609661 · [email protected]