β-アラニンアミド塩酸塩

3-Aminopropanamide hydrochloride

HCID 22222288CAS 64017-81-8

部分構造検索類似構造を探す

基本情報

標準SMILES: Cl.NCCC(N)=O
InChIKey: GAGJMOQGABUOBK-UHFFFAOYSA-N
分子式: C3H9ClN2O
平均分子量: 124.57 g/mol
単同位体質量: 124.0403406

名称と識別子

優先名称: 3-Aminopropanamide hydrochloride
IUPAC: 3-aminopropanamide;hydrochloride
現地名: β-アラニンアミド塩酸塩
英語名: H-BETA-ALA-NH2 HCL
分子式: C3H8N2O.ClH
分子量: 124.57

名称と別名

3-aminopropanamide hydrochlorideRefChem:497766878-069-964017-81-8H-beta-Ala-NH2.HClH-BETA-ALA-NH2 HCL3-Aminopropionamide Hydrochloridebeta-Alaninamide Hydrochloride3-Aminopropanamide HClH-|A-Ala-NH2.HCl3-amino-propionamide hydrochlorideMFCD00060747

名称をさらに表示

β-アラニンアミド塩酸塩H-ΒALA-NH2塩酸塩β-アラニンアミド塩酸塩3-アミノプロピオンアミド塩酸塩3-アミノプロピオンアミド・塩酸塩H-β-Ala-NH2.HClβ-Alaninamide Hydrochloride-Ala-Nh2.HclSS-ALA-NH2HCLH-beta-Ala-NH2β- Ala-NH2.HclH-SS-ALA-NH2HCLbeta-Alaninamide3-Aminopropionamide

3-aminopropanamide;hydrochlorideH-beta-Ala-NH2 hydrochloridePropanamide, 3-amino-, hydrochloride (1:1)H-beta-Ala-NH HClH-BETA-ALA-NH2HCLPropanamide, 3-amino-, monohydrochloridebeta-alanine amide hydrochlorideb-Ala-NH2.HCl

データベース識別子

CAS: 64017-81-8
PubChem CID: 22222288
DTXSID: DTXSID70623543
ChEMBL: CHEMBL1222064
EC Number: 878-069-9

物性

構造計算による物性

極性表面積: 69.1 Å²
水素結合供与体数: 3
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 7
形式電荷: 0
複雑度: 52

物理化学的性質

融点: 153 °C · 153°C
貯蔵温度: 2 · Inert atmosphere,2-8°C
溶解性: メタノールに可溶。
外見: 個体
色: White to Almost white
CAS データベース: 64017 · 64017-81-8

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 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

Hazard Classes and CategoriesAcute Tox. 4 (50%)；Skin Irrit. 2 (50%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (50%)；STOT SE 3 (50%)

安全データ

hs_code: 2924297099
risk_code: 36
hazard_code: Xi
safety_code: 26
hazard_class: IRRITANT

化学と産業

応用分野

使用beta-Alaninamide hydrochloride is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.