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107-95-9 分子结构
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3-aminopropanoic acid

ChemBase编号:2810
分子式:C3H7NO2
平均质量:89.09318
单一同位素质量:89.04767847
SMILES和InChIs

SMILES:
NCCC(=O)O
Canonical SMILES:
NCCC(=O)O
InChI:
InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
InChIKey:
UCMIRNVEIXFBKS-UHFFFAOYSA-N

引用这个纪录

CBID:2810 http://www.chembase.cn/molecule-2810.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
3-aminopropanoic acid
IUPAC传统名
β-alanine
β alanine
bAla
别名
3-氨基丙酸
β-丙氨酸
Beta-Alanine
H-beta-Ala-OH
beta-Alanine
2-Carboxyethylamine
Abufene
NSC 7603
β-Aminopropanoic Acid
β-Aminopropionic Acid
ω-Aminopropionic Acid
β-Alanine
β-Alanine
3-Aminopropionic acid
β-Ala
β-ALANINE
β-Ala
β-Alanine
3-Aminopropanoic acid
3-Aminopropanoic acid
CAS号
107-95-9
EC号
203-536-5
MDL号
MFCD00008200
Beilstein号
906793
默克索引号
14205
PubChem SID
24848760
46507739
24891409
24901588
160966258
24854389
PubChem CID
239
CHEBI ID
16958
CHEMBL
297569
Chemspider ID
234
DrugBank ID
DB03107
FEMA编号
3252
IUPHAR配体索引
2365
KEGG ID
D07561
美国药典/FDA物质标识码
11P2JDE17B
维基百科标题
Beta-Alanine
Flavis Number
17.001

理论计算性质

理论计算性质

JChem ALOGPS 2.1
Acid pKa 4.0843987  质子受体
质子供体 LogD (pH = 5.5) -3.1865036 
LogD (pH = 7.4) -3.173632  Log P -3.1735895 
摩尔折射率 20.7028 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 -3.26  LOG S 0.74 
溶解度 4.94e+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
soluble in water expand 查看数据来源
外观
Bipyramidal crystals expand 查看数据来源
熔点
202 °C (dec.)(lit.) expand 查看数据来源
202(dec.)°C expand 查看数据来源
205°C (decomposes) expand 查看数据来源
207 °C decomp. expand 查看数据来源
ca 205°C dec. expand 查看数据来源
密度
1.437 expand 查看数据来源
1.437 g/cm3 (19 °C) expand 查看数据来源
感官
fruity; sweet expand 查看数据来源
保存条件
Room Temperature (15-30°C) expand 查看数据来源
保存注意事项
IRRITANT expand 查看数据来源
Irritant expand 查看数据来源
RTECS编号
UA2369200 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
3 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
过敏源
no known allergens expand 查看数据来源
纯度
≥98% expand 查看数据来源
≥99% expand 查看数据来源
95+% expand 查看数据来源
97% expand 查看数据来源
98% expand 查看数据来源
99% expand 查看数据来源
级别
NI 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
suitable for cell culture expand 查看数据来源
suitable for insect cell culture expand 查看数据来源
产品质量级别
PREMIUM expand 查看数据来源
产品线
BioReagent expand 查看数据来源
线性分子式
NH2CH2CH2COOH expand 查看数据来源

详细说明

详细说明

MP Biomedicals MP Biomedicals DrugBank DrugBank Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals -  02100929 external link
Crystalline
MP Biomedicals -  02194618 external link
Cell Culture Reagent
Crystalline
MP Biomedicals -  05210409 external link
MP Biomedicals Rare Chemical collection
DrugBank -  DB03107 external link
Item Information
Drug Groups experimental
Description An amino acid formed in vivo by the degradation of dihydrouracil and carnosine. Since neuronal uptake and neuronal receptor sensitivity to beta-alanine have been demonstrated, the compound may be a false transmitter replacing GAMMA-AMINOBUTYRIC ACID. A rare genetic disorder, hyper-beta-alaninemia, has been reported. [PubChem]
Sigma Aldrich -  W325201 external link
包装
1 kg in poly bottle
1 sample in glass bottle
5, 10 kg in fiber drum
Biochem/physiol Actions
β-Alanine, a β-amino acid, is a component of pantothenic acid and the rate-limiting amino acid in the biosynthesis of the histidinyl antioxidant dipeptides carnosine and anserine. Endogenous β-amino acid that is a nonselective agonist at glycine receptors and a ligand for the G protein-coupled orphan receptor, TGR7 (MrgD). β-Alanine flux plays a cytoprotective role by supporting the osmotic stability of marine organisms, preimplantation mouse embryos and mammalian cells exposed to hypoxic stress.
Sigma Aldrich -  A9920 external link
General description
An N-blocked form of alanine.
包装
10 mg in autosmp vl
Biochem/physiol Actions
β-Alanine, a β-amino acid, is a component of pantothenic acid and the rate-limiting amino acid in the biosynthesis of the histidinyl antioxidant dipeptides carnosine and anserine. Endogenous β-amino acid that is a nonselective agonist at glycine receptors and a ligand for the G protein-coupled orphan receptor, TGR7 (MrgD). β-Alanine flux plays a cytoprotective role by supporting the osmotic stability of marine organisms, preimplantation mouse embryos and mammalian cells exposed to hypoxic stress.
Sigma Aldrich -  239720 external link
包装
50 g in glass bottle
Biochem/physiol Actions
β-Alanine, a β-amino acid, is a component of pantothenic acid and the rate-limiting amino acid in the biosynthesis of the histidinyl antioxidant dipeptides carnosine and anserine. Endogenous β-amino acid that is a nonselective agonist at glycine receptors and a ligand for the G protein-coupled orphan receptor, TGR7 (MrgD). β-Alanine flux plays a cytoprotective role by supporting the osmotic stability of marine organisms, preimplantation mouse embryos and mammalian cells exposed to hypoxic stress.
Sigma Aldrich -  A7752 external link
Biochem/physiol Actions
β-Alanine, a β-amino acid, is a component of pantothenic acid and the rate-limiting amino acid in the biosynthesis of the histidinyl antioxidant dipeptides carnosine and anserine. Endogenous β-amino acid that is a nonselective agonist at glycine receptors and a ligand for the G protein-coupled orphan receptor, TGR7 (MrgD). β-Alanine flux plays a cytoprotective role by supporting the osmotic stability of marine organisms, preimplantation mouse embryos and mammalian cells exposed to hypoxic stress.
Sigma Aldrich -  146064 external link
包装
2 kg in poly bottle
25, 500 g in poly bottle
Biochem/physiol Actions
β-Alanine, a β-amino acid, is a component of pantothenic acid and the rate-limiting amino acid in the biosynthesis of the histidinyl antioxidant dipeptides carnosine and anserine. Endogenous β-amino acid that is a nonselective agonist at glycine receptors and a ligand for the G protein-coupled orphan receptor, TGR7 (MrgD). β-Alanine flux plays a cytoprotective role by supporting the osmotic stability of marine organisms, preimplantation mouse embryos and mammalian cells exposed to hypoxic stress.
Toronto Research Chemicals -  A637320 external link
β-Alanine is a naturally occurring beta amino acid. β-Alanine is formed in vivo by the degradation of dihydrouracil (D449990) and carnosine. β-Alanine is also the rate-limiting precursor of carnosine, as a result supplementation with β-alanine increases t

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Derave, W. et al.: J. Appl. Physiol., 103, 1736 (2007)
  • Xia, J.-F. et al.: J. Chrom. B Anal. Technol. Biomed. Life Sci., 977, 1930 (2007)
  • Artioli, G.G. et al.: Med. Sci. Sports Exer.,42, 1162 (2007)
  • Effective catalyst for the Knoevenagel condensation, for example of ethyl cyanoacetate with 2-butanone: Org. Synth. Coll., 4, 93 (1963), and of malononitrile with various substrates, where stronger bases would cause self-condensation of the nitrile: J. Org. Chem., 38, 1512 (1973); Synthesis, 669 (1974).
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专利

专利

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