3-(ジエチルアミノ)プロピオン酸塩酸塩

N,N-diethyl-beta-alanine hydrochloride

HCID 3084241

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 15674-67-6
標準SMILES: CCN(CC)CCC(=O)O.Cl
InChIKey: QQVHFNAGPZTCBE-UHFFFAOYSA-N
分子式: C7H16ClNO2
平均分子量: 181.66 g/mol
単同位体質量: 181.08695643

名称と識別子

優先名称: N,N-diethyl-beta-alanine hydrochloride
IUPAC: 3-(diethylamino)propanoic acid;hydrochloride
現地名: 3-(ジエチルアミノ)プロピオン酸塩酸塩
英語名: 3-(Diethylamino)propionic acid hydrochloride
分子式: C7H16ClNO2
分子量: 181.66

名称と別名

15674-67-6N,N-Diethyl-beta-alanine hydrochlorideEINECS 239-751-6beta-Alanine, N,N-diethyl-, hydrochloride (1:1)DTXSID70166122RefChem:822304DTXCID1088613239-751-63-(diethylamino)propanoic acid hydrochloride3-(Diethylamino)propionic acid hydrochlorideMFCD000126113-(diethylamino)propanoic acid;hydrochloride

名称をさらに表示

3-(ジエチルアミノ)プロピオン酸塩酸塩N,N-ジエチル-β-アラニン塩酸塩3-(ジエチルアミノ)プロパン酸塩酸塩N,N-diethyl-beta-alanine3-(Diethylamino)propionicacidHClN,N-diethyl-b-Alanine, hydrochloride (1:1)β-Alanine, N,N-diethyl-, hydrochloride (1:1)3-(Diethylamino)propionicAcidHydrochloride>3-(N,N-diethylamino)propionic acid hydrochloride3-(DIETHYLAMINO)PROPIONIC ACID HYDROCHLORIDE 99%

3-Diethylaminopropionic acid hydrochlorideAS-10553D17133-(Diethylamino)propanoicacidhydrochloride3-(DIETHYLAMINO)PROPIONIC ACID HCL3-diethylamino-propionic acid hydrochloride3-(Diethylamino)propanoiSCHEMBL866233

データベース識別子

CAS: 15674-67-6
PubChem CID: 3084241
DTXSID: DTXSID70166122
UNII: 9N72U8GWK3
EC Number: 239-751-6

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: 5
重原子数: 11
形式電荷: 0
複雑度: 99.8

物理化学的性質

融点: 146 · 146-148 °C(lit.)
貯蔵温度: Inert atmosphere,Room Temperature
外見: powder to crystal
色: White to Almost white
水溶解度: ほとんど透明
主な用途: ペプチド合成
InChI: 1S/C7H15NO2.ClH/c1-3-8(4-2)6-5-7(9)10;/h3-6H2,1-2H3,(H,9,10);1H
InChIKey: QQVHFNAGPZTCBE-UHFFFAOYSA-N
SMILES: Cl.CCN(CC)CCC(O)=O

化学的性質

化学的特性white to off-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]

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 70 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.