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56-41-7 分子结构
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(2S)-2-aminopropanoic acid

ChemBase编号:46
分子式:C3H7NO2
平均质量:89.09318
单一同位素质量:89.04767847
SMILES和InChIs

SMILES:
OC(=O)[C@@H](N)C
Canonical SMILES:
C[C@@H](C(=O)O)N
InChI:
InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
InChIKey:
QNAYBMKLOCPYGJ-REOHCLBHSA-N

引用这个纪录

CBID:46 http://www.chembase.cn/molecule-46.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
(2S)-2-aminopropanoic acid
IUPAC传统名
L-alanine
别名
(S)-2-氨基丙酸
L-α-氨基丙酸
L-丙氨酸
L-丙胺酸
(S)-2-Aminopropionic acid
L-α-Aminopropionic acid
L-2-AMINO-1-PROPANOL
(2S)-2-Aminopropanoic acid
(S)-(+)-Alanine
(S)-2-Aminopropanoic acid
(S)-Alanine
2-Aminopropanoic acid
2-Aminopropionic acid
a-Alanine
a-Aminopropionic acid
Alanine
L-(+)-Alanine
L-2-Aminopropanoic acid
L-2-Aminopropionic acid
L-a-Alanine
L-a-Aminopropionic acid
ALA
L-Alanine
L-Alanine
L-ALANINE U.S.P.
A
L-α-ALANINE
H-Ala-OH
CAS号
56-41-7
2749-11-3
EC号
200-273-8
MDL号
MFCD00064410
Beilstein号
1720248
默克索引号
14204
PubChem SID
46504866
24890849
24901893
160963509
24891241
24891260
PubChem CID
5950
FEMA编号
3818
Flavis Number
17.002

理论计算性质

理论计算性质

JChem ALOGPS 2.1
Acid pKa 2.4748974  质子受体
质子供体 LogD (pH = 5.5) -2.840927 
LogD (pH = 7.4) -2.843974  Log P -2.840788 
摩尔折射率 20.4973 cm3 极化性 8.358352 Å3
极化表面积 63.32 Å2 可自由旋转的化学键
里宾斯基五规则 true 
Log P -3.05  LOG S 0.7 
溶解度 4.47e+02 g/l 

分子性质

分子性质

理化性质 安全信息 药理学性质 产品相关信息 生物活性(PubChem)
溶解度
164 mg/mL at 25 oC [YALKOWSKY,SH & DANNENFELSER,RM (1992)] expand 查看数据来源
H2O: soluble100 mg/mL expand 查看数据来源
外观
powder expand 查看数据来源
熔点
>297°C expand 查看数据来源
ca 295°C dec. expand 查看数据来源
密度
1.40 g/ml expand 查看数据来源
1.432 expand 查看数据来源
比旋光度
[α]20/D +13.5 to +15.5°, c = 10 in 6 M HCl expand 查看数据来源
[α]20/D +13.5±1°, c = 5% in 5 M HCl expand 查看数据来源
[α]20/D +14.5°, c = 10 in 6 M HCl expand 查看数据来源
+14 (c=5 in 5N HCl) expand 查看数据来源
疏水性(logP)
-2.8 expand 查看数据来源
保存条件
Room Temperature (15-30°C) expand 查看数据来源
Room Temperature (15-30°C), Protect from light expand 查看数据来源
保存注意事项
IRRITANT expand 查看数据来源
RTECS编号
AY2990000 expand 查看数据来源
欧盟危险性物质标志
刺激性(Irritant) 刺激性(Irritant) (Xi) expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
德国WGK号
1 expand 查看数据来源
危险公开号
R:36/37/38 expand 查看数据来源
安全公开号
S:20-25-26-37/39 expand 查看数据来源
TSCA收录
false expand 查看数据来源
expand 查看数据来源
个人保护装置
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand 查看数据来源
保存温度
20-25°C expand 查看数据来源
相关基因信息
human ... CA1(759), CA2(760) expand 查看数据来源
纯度
≥98% (TLC) expand 查看数据来源
≥98.0% (NT) expand 查看数据来源
≥98.5% expand 查看数据来源
≥99% expand 查看数据来源
≥99.0% expand 查看数据来源
98% expand 查看数据来源
98.5% expand 查看数据来源
99% expand 查看数据来源
级别
certified reference material expand 查看数据来源
EP expand 查看数据来源
PharmaGrade expand 查看数据来源
purum expand 查看数据来源
SAJ special grade expand 查看数据来源
TraceCERT® expand 查看数据来源
USP expand 查看数据来源
光学纯度
ee: 99% (GLC) expand 查看数据来源
质检报告
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
适用性
meets EP, USP testing specifications expand 查看数据来源
suitable for cell culture expand 查看数据来源
suitable for manufacturing use expand 查看数据来源
杂质
endotoxin, tested expand 查看数据来源
生物来源
from non-animal source expand 查看数据来源
干燥失重
≤0.5% loss on drying expand 查看数据来源
产品质量级别
GMP-COMPENDIA expand 查看数据来源
Empirical Formula (Hill Notation)
C3H7NO2 expand 查看数据来源

详细说明

详细说明

MP Biomedicals MP Biomedicals DrugBank DrugBank Sigma Aldrich Sigma Aldrich
MP Biomedicals -  05203557 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals -  02194617 external link
Cell Culture Reagent
Crystalline
MP Biomedicals -  02100287 external link
Crystalline
Purity: 98.5%
DrugBank -  DB00160 external link
Item Information
Drug Groups approved; nutraceutical
Description A non-essential amino acid that occurs in high levels in its free state in plasma. It is produced from pyruvate by transamination. It is involved in sugar and acid metabolism, increases immunity, and provides energy for muscle tissue, brain, and the central nervous system. [PubChem]
Indication Used for protein synthesis.
Pharmacology Is an important source of energy for muscle tissue, the brain and central nervous system; strengthens the immune system by producing antibodies; helps in the metabolism of sugars and organic acids.
Affected Organisms
Humans and other mammals
Sigma Aldrich -  A4349 external link
包装
按照 cGMP 制造和包装
Sigma Aldrich -  A7469 external link
包装
10 mg in autosmp vl
Biochem/physiol Actions
L-Alanine is a nonessential amino acid which is highly concentrated in muscle. It is a key player in the Glucose-Alanine cycle, which enables the removal of pyruvate and glutamate from muscle to the liver. Once in the liver, glucose is regenerated from pyruvate and returned to the muscle while glutamate ultimately participates in the urea cycle to form urea. The Glucose-Alanine cycle aides to conserve ATP in muscle for muscle contraction, while the energy burden of gluconeogenesis is imposed upon the liver.
Sigma Aldrich -  A7627 external link
包装
1 g in poly tube
1 kg in poly bottle
100, 500 g in poly bottle
Biochem/physiol Actions
Alanine is a nonessential amino acid that plays a key role in the glucose-alanine cycle between muscle tissue and the liver. In amino acid-degrading tissues such as muscle, amino groups are pooled as glutamate by transamination reactions. The amino group of glutamate is transferred to pyruvate via alanine aminotransferase, forming alanine and α-ketoglutarate. The alanine is passed into the blood and transported to the liver. This reaction is reversed in the liver where pyruvate can be used in gluconeogenesis to form glucose, which may return to other tissues through the circulatory system. Increased alanine levels correlate with higher blood pressure, energy intake, cholesterol levels, and body mass index.
Sigma Aldrich -  A26802 external link
包装
25 g in poly bottle
Sigma Aldrich -  W381829 external link
包装
1 kg in poly bottle
100 g in poly bottle
Sigma Aldrich -  44526 external link
Analysis Note
此认证标准物质 (CRM) 的生产和认证都符合 ISO/IEC 17025 和 ISO Guide 34 的要求。此 CRM 可溯源到 NIST SRM。
General description
认证的含量经定量 NMR 确定,并且证书上标明不确定度和有效期。 证书下载:http://www.sigma-aldrich.com。
法律信息
TraceCERT 注册商标 Sigma-Aldrich Co. LLC

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • ɑ-Amino acids can be converted to the corresponding ɑ-chloro acids with a high degree of retention of configuration, by diazotization in the presence of HCl: J. Am. Chem. Soc., 76, 6054 (1954). The intermediate is thought to be a rigid oxiranone which prevents racemization. For an improved technique and list of examples, see: Org. Synth. Coll., 8, 119 (1993):
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专利

专利

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