Isoserine (HCID 11267)

名称と識別子

優先名称: Isoserine
IUPAC: 3-amino-2-hydroxypropanoic acid
現地名: DL-イソセリン
英語名: DL-ISOSERINE
分子式: C3H7NO3
分子量: 105.09

名称と別名

565-71-9ISOSERINE2-Hydroxy-3-aminopropanoic acidRefChem:792331dl-Isoserine3-amino-2-hydroxypropanoic acid632-12-2Propanoic acid, 3-amino-2-hydroxy-H-DL-ISOSER-OH3-Amino-2-hydroxypropionic acidMFCD00008138U7LTG62FEW

名称をさらに表示

DL-イソセリンDL-2-ヒドロキシ-β-アラニンrac-(R*)-3-アミノ-2-ヒドロキシプロピオン酸DL-3-アミノ乳酸rac-(R*)-2-ヒドロキシ-3-アミノプロピオン酸rac-(R*)-3-アミノ-2-ヒドロキシプロパン酸DL-3-アミノ-3-ヒドロキシプロピオン酸(±)-イソセリンH-DL-ISE-OH3-AMINOLACTIC ACID2-HYDROXY-B-ALANINEDL-3-Aminolactic acidDL-2-Hydroxy-β-alanine2-HYDROXY-BETA-ALANINEDL-2-HYDROXY-3-AMINOPROPIONIC ACID(R,S)-3-AMINO-2-HYDROXYPROPIONIC ACID

2-Hydroxy-.beta.-alanine(DL)-IsoserineCHEMBL4798809H-DL-beta-Amino-alpha-hydroxypropionic acid(RS)-isoserineIsoserine, DL-(2R)-3-Amino-2-hydroxy-propanoic acidDL-3-Amino-2-hydroxypropionic Acid

データベース識別子

CAS: 565-71-9、632-12-2
PubChem CID: 11267
DTXSID: DTXSID70870737
ChEMBL: CHEMBL4798809
UNII: U7LTG62FEW
EC Number: 815-213-1、918-962-3
Nikkaji: J11.546K

物性

構造計算による物性

XLogP: -4
極性表面積: 83.6 Å²
水素結合供与体数: 3
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 7
形式電荷: 0
複雑度: 72

物理化学的性質

融点: 235 °C · 235 °C (dec.)(lit.)
沸点: 197.09 °C · 197.09°C (rough estimate)
比重(密度): 1.3895 · 1.3895 (rough estimate)
屈折率: 1.4368 · 1.4368 (estimate)
貯蔵温度: -15 °C · -15°C
水溶解度: 15.3 g/L · 15.3g/L(20℃)
CAS データベース: 632 · 632-12-2

化学的性質

化学的特性Crystalline

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

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

Not Classified；Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and Categories · 2 件

Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Not Classified

安全データ

wgk: 3
safety_code: 22-24/25

化学と産業

調製方法 · 1 件

純化方法Recrystallise it from H2O or 50% aqueous EtOH. It has an isoelectric pH of 6.02. [Rinderknecht & Niemann J Am Chem Soc 75 6322 1953, Gundermann & Holtmann Chem Ber 91 160 1958, Emerson et al. J Biol Chem 92 451 1931.] The hydrobromide has m 128-130o (from aqueous HBr) [Sch.berl & Braun Justus Liebigs Ann Chem 542 288 1939]. [Beilstein 4 H 503, 4 IV 3116.]