(2R)-2-(アセチルアミノ)プロピオン酸

N-acetyl-D-alanine

HCID 132213
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基本情報

CAS
19436-52-3
標準SMILES
CC(=O)N[C@H](C)C(=O)O
InChIKey
KTHDTJVBEPMMGL-GSVOUGTGSA-N
分子式
C5H9NO3
平均分子量
131.13 g/mol
単同位体質量
131.05824315

名称と識別子

優先名称
N-acetyl-D-alanine
IUPAC
(2R)-2-acetamidopropanoic acid
現地名
(2R)-2-(アセチルアミノ)プロピオン酸
英語名
Ac-D-Ala-OH
分子式
C5H9NO3
分子量
131.13

名称と別名

N-Acetyl-D-alanine19436-52-3Acetyl-D-AlanineD-Alanine, N-acetyl-IIE41SBQ9LEINECS 243-066-8UNII-IIE41SBQ9LALANINE, N-ACETYL-, D-(R)-(+)-N-ACETYLALANINENSC 203819NSC-203819RefChem:162588
名称をさらに表示
(2R)-2-(アセチルアミノ)プロピオン酸N-アセチル-D-アラニン(R)-2-(アセチルアミノ)プロパン酸(R)-2-(アセチルアミノ)プロピオン酸Ac-D-AlaAC-D-ALANINEN-Ac-D-Ala-OH(R)-N-Acetylalanine
243-066-8Ac-D-Ala-OH(R)-2-Acetamidopropanoic acid(2R)-2-acetamidopropanoic acidMFCD00063133N-acetyl-d-ala(R)-2-Acetylamino-propionic acidN-Acetyl D-alanine

データベース識別子

CAS
19436-52-3
PubChem CID
132213
DTXSID
DTXSID101315865
ChEMBL
CHEMBL143309
UNII
IIE41SBQ9L
EC Number
243-066-8
Nikkaji
J231.857A

物性

構造計算による物性

XLogP
-0.9
極性表面積
66.4 Ų
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
2
重原子数
9

物理化学的性質

融点
125 °C · 125 °C
沸点
369.7 · 369.7±25.0 °C(Predicted)
比重(密度)
1.17 · 1.170
貯蔵温度
-20 °C · -20°C
溶解性
1 % · Soluble in water or 1% acetic acid
酸解離定数(Pka)
3.69 · 3.69±0.10(Predicted)

化学的性質

化学的特性White crystal powder

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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.；Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.；There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).；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 CategoriesSkin Irrit. 2 (50%)；Eye Irrit. 2A (50%)；STOT SE 3 (50%)

安全データ

wgk
3
hs_code
2922498590
ストレージクラス
11 - Combustible Solids

化学と産業

応用分野 · 1 件

使用N-Acetyl-D-alanine may be used with other D-aminoacylated amino acids as a substrate for the identification, differentiation and characterization of D-aminoacylase(s)/amidohydrolase(s). N-acetyl-D-alanine may be used to study aglycon pocket specific binding on vancomycin.

上流・下流製品情報

サプライヤー100 社

北京华美互利生物化工010-56205725 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]

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