Ethyl 3-(methylamino)propanoate

HCID 541480

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基本情報

CAS: 2213-08-3
標準SMILES: CCOC(=O)CCNC
InChIKey: XVIJMHJTEHBUJI-UHFFFAOYSA-N
分子式: C6H13NO2
平均分子量: 131.17 g/mol
単同位体質量: 131.09462866

名称と識別子

優先名称: Ethyl 3-(methylamino)propanoate
IUPAC: ethyl 3-(methylamino)propanoate
英語名: Ethyl 3-(N-methylamino) propionate
分子式: C6H13NO2
分子量: 131.17

名称と別名

Ethyl 3-(methylamino)propanoate2213-08-3DTXSID70337279RefChem:343255DTXCID60288367969-340-3ethyl N-methyl-beta-alaninateMFCD00672194Ethyl N-Methyl-b-alaninateN-Methyl-b-alanine ethyl ester3-(Methylamino)propionic acid ethyl esterSCHEMBL498980

名称をさらに表示

114537Ethyl N-Methyl-β-alaninateethyl N-methyl-2-aminopropionateβ-Alanine, N-methyl-, ethyl esterEthyl 3-(N-methylamino) propionate.beta.-Alanine, N-methyl-, ethyl ester

ethyl 3-methylamino-propionateEthyl3-(methylamino)propanoateethyl beta-methylaminopropionatebeta-Alanine, N-methyl-, ethyl esterSCHEMBL3115227SCHEMBL3893364ethyl N-methyl-3-aminopropionateethyl-3-(methylamino)-propanoate

データベース識別子

CAS: 2213-08-3
PubChem CID: 541480
DTXSID: DTXSID70337279
EC Number: 969-340-3

物性

構造計算による物性

XLogP: 0
極性表面積: 38.3 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 5
重原子数: 9
形式電荷: 0
複雑度: 83.1

物理化学的性質

沸点: 242.49 °C · 242.49°C (rough estimate)
比重(密度): 1.007 · 1.0070
屈折率: 1.4443 · 1.4443 (estimate)
貯蔵温度: -20 °C · Inert atmosphere,Store in freezer, under -20°C
溶解性: Chloroform (Sparingly), Ethyl Acetate (Slightly)
外見: Oil
酸解離定数(Pka): 9.55 · 9.55±0.10(Predicted)
色: Colourless
InChI: InChI=1S/C6H13NO2/c1-3-9-6(8)4-5-7-2/h7H,3-5H2,1-2H3
InChIKey: XVIJMHJTEHBUJI-UHFFFAOYSA-N
SMILES: C(=O)(OCC)CCNC

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.