5959-35-3 ((Butanoic acid,4-amino-, hydrochloride (1:1))

快速询单

结构式：

Butanoic acid,4-amino-, hydrochloride (1:1)MOL文件

CAS号：

5959-35-3

英文名称：

Butanoic acid,4-amino-, hydrochloride (1:1)

分子式：

C₄H₁₀ClNO₂

分子量：

139.580700397491

Butanoic acid,4-amino-, hydrochloride (1:1)(5959-35-3)名称与标识符

名称

英文别名：

Butanoic acid,4-amino-, hydrochloride (1:1);4-aminobutanoic acid,hydrochloride;4-aminobutyric acid hydrochloride;4-aminobutanoic acid hydrochloride (1:1);4-Aminobutyric acid HCl;NS00083005;4-AMINO-N-BUTYRIC ACID HYDROCHLORIDE;CS-0259736;.GAMMA.-AMINOBUTYRIC ACID HYDROCHLORIDE [MI];Butyric acid, 4-amino-, hydrochloride;0S3LEB8Q58;GABA hydrochloride;BUTANOIC ACID, 4-AMINO-, HYDROCHLORIDE (1:1);CCG-213774;AKOS024400865;4-aminobutanoic acid hydrochloride;.GAMMA.-AMINOBUTYRIC ACID HYDROCHLORIDE;Q27237169;UNII-0S3LEB8Q58;QPGLUEKHBNOAHG-UHFFFAOYSA-N;PIPERIDIC ACID HYDROCHLORIDE;5959-35-3;EINECS 227-724-1;Butanoic acid, 4-amino-, hydrochloride;EN300-7409456;4-aminobutanoic acid;hydrochloride;DTXSID50208256;gamma-Aminobutyric acid hydrochloride;4-aminobutyrate hydrochloride;SCHEMBL115987;

标识符

InChIKey：

QPGLUEKHBNOAHG-UHFFFAOYSA-N

Inchi：

1S/C4H9NO2.ClH/c5-3-1-2-4(6)7;/h1-3,5H2,(H,6,7);1H

SMILES：

Cl.OC(CCCN)=O

Butanoic acid,4-amino-, hydrochloride (1:1)(5959-35-3)物化性质

实验特性

PSA : 63.32

计算特性

精确分子量 : 139.0401
氢键供体数量 : 3
氢键受体数量 : 3
可旋转化学键数量 : 3
同位素质量 : 139.0400063g/mol
重原子数量 : 8
复杂度 : 62.7
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 2
疏水参数计算参考值（XlogP） : 无
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 63.3Å²

Butanoic acid,4-amino-, hydrochloride (1:1)(5959-35-3)相关文献

1. Salts of 4-aminobutyric acid and 6-aminohexanoic acid behaving as molecular Velcro
M. Rademeyer,B. van der Westhuizen CrystEngComm 2017 19 6821
2. The broad amine scope of pantothenate synthetase enables the synthesis of pharmaceutically relevant amides
Mohammad Z. Abidin,Thangavelu Saravanan,Erick Strauss,Gerrit J. Poelarends Org. Biomol. Chem. 2021 19 4515
3. Enantioselective sp3 C–H alkylation of γ-butyrolactam by a chiral Ir(i) catalyst for the synthesis of 4-substituted γ-amino acids
Yu-ki Tahara,Masamichi Michino,Mamoru Ito,Kyalo Stephen Kanyiva,Takanori Shibata Chem. Commun. 2015 51 16660
4. Y-shaped potential third-order nonlinear optical material – 3-(2-amino-2-oxoethyl)-5-methyl hexanoic acid: an analysis of structural, spectroscopic and docking studies
Nuthalapati Poojith,Krishna Murthy Potla,Francisco A. P. Osório,Clodoaldo Valverde,Suneetha Vankayalapati,P. A. Suchetan,M. Raja New J. Chem. 2020 44 18185
5. Configurational studies in synthetic analgesics
A. H. Beckett,A. F. Casy J. Chem. Soc. 1955 900
6. Furfurylamines from biomass: transaminase catalysed upgrading of furfurals
Alice Dunbabin,Fabiana Subrizi,John M. Ward,Tom D. Sheppard,Helen C. Hailes Green Chem. 2017 19 397
7. Syntheses of novel piperidin-4-ylphosphinic acid, and piperidin-4-ylphosphonic acid analogues of the inhibitory neurotransmitter 4-aminobutyric acid (GABA)
Jan Kehler,Bjarke Ebert,Otto Dahl,Povl Krogsgaard-Larsen J. Chem. Soc. Perkin Trans. 1 1998 3241
8. β-Substituted γ-butyrolactams from mucochloric acid: synthesis of (±)-baclofen and other γ-aminobutyric acids and useful building blocks
Kallolmay Biswas,Rajesh Gholap,Padakanti Srinivas,Sachin Kanyal,Koushik Das Sarma RSC Adv. 2014 4 2538
9. Understanding the conformational analysis of gababutin based hybrid peptides
Maruthi Konda,Rohit G. Jadhav,Sayan Maiti,Shaikh M. Mobin,Brice Kauffmann,Apurba K. Das Org. Biomol. Chem. 2018 16 1728
10. Rhodium-catalysed asymmetric hydrogenation as a valuable synthetic tool for the preparation of chiral drugs
Pablo Etayo,Anton Vidal-Ferran Chem. Soc. Rev. 2013 42 728

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960化工网为您提供Butanoic acid,4-amino-, hydrochloride (1:1)专业化合物百科信息，包括中文名，英文名，分子式，分子量，以及该化合物的CasNo.5959-35-3,相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等。 WAP版:5959-35-3 国际站:5959-35-3