N-Methylhydroxylamine hydrochloride - ≥97%(T) , CAS No.4229-44-1

CAS: 4229-44-1 Cat. No.: N138828 Molecular Weight: 83.52 Beilstein Registry Number: 3541409 EC Number: 224-181-2

GRADE & PURITY ≥97%(T)

Synonyms

EN300-129702 | N-methylhydroxylamine.hydrochloride | N-methyl-hydroxylamine.hydrochloride | m-Aminophenyl trifluoromethyl ether | NSC-44243 | NSC48213 | NSC-48213 | Q27284017 | N-hydroxymethanamine hydrochloride | NSC 48213 | methylhydroxyl amine HCl | N-

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Used to construct hydroxamates, important functional groups for the complexation of iron

Specifications

Synonyms

EN300-129702 | N-methylhydroxylamine.hydrochloride | N-methyl-hydroxylamine.hydrochloride | m-Aminophenyl trifluoromethyl ether | NSC-44243 | NSC48213 | NSC-48213 | Q27284017 | N-hydroxymethanamine hydrochloride | NSC 48213 | methylhydroxyl amine HCl | N-

Specifications & Purity

≥97%(T)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%(T)

Names and Identifiers

• Pubchem Sid: 488185481
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185481
• Canonical Smiles: CNO.Cl
• IUPAC Name: N-methylhydroxylamine;hydrochloride
• InChIKey: RGZRSLKIOCHTSI-UHFFFAOYSA-N
• INCHI: 1S/CH5NO.ClH/c1-2-3;/h2-3H,1H3;1H
• Isomeric SMILES: CNO.Cl
• WGK Germany: 3
• Molecular Weight: 83.52
• Beilstein: 3541409
• Reaxy-Rn: 3541409
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3541409&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass N-organohydroxylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: N-organohydroxylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-organohydroxylamines
• Alternative Parents: Organopnictogen compounds Organic oxygen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: N-organohydroxylamine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as n-organohydroxylamines. These are organic compounds comprising the hydroxylamine functional group, with the general structure R1ON(R2)R3 (R1,R3=H, organyl; R2 = organyl).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in water.
• Sensitivity: Hygroscopic
• Melt Point(°C): 86 °C
• Molecular Weight: 83.520 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 83.0138 Da
• Monoisotopic Mass: 83.0138 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 4.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Zhang Jing, Song Huanchun, Jiang Shuying, Chen Zhibin, Tong Shuhua, Lin Feiyan, Wen Congcong, Zhang Xiuhua, Hu Lufeng.  (2017)  Fisher Discrimination of Metabolic Changes in Rats Treated with Aspirin and Ibuprofen.  PHARMACOLOGY,      [PMID:28728150] [10.1159/000477971]

2. Yan Li, Gaotong Lin, Bingbao Chen, Jing Zhang, Lingtian Wang, Zixia Li, Yungang Cao, Congcong Wen, Xuezhi Yang, Gaozhong Cao, Xianqin Wang, Guoquan Cao.  (2017)  Effect of alprazolam on rat serum metabolic profiles.  BIOMEDICAL CHROMATOGRAPHY,  31  (9): (e3956).  [PMID:28187228] [10.1002/bmc.3956]

3. Shihui Bao, Jing Zhang, Zixia Lin, Ke Su, Jingjing Mo, Lin Hong, Shuyi Qian, Lianguo Chen, Fa Sun, Congcong Wen, Qing Wu, Lufeng Hu, Guanyang Lin, Xianqin Wang.  (2016)  Serum metabolic changes in rats after intragastric administration of dextromethorphan.  BIOMEDICAL CHROMATOGRAPHY,  31  (3): (e3814).  [PMID:27528536] [10.1002/bmc.3814]

4. Meiling Zhang, Congcong Wen, Yuan Zhang, Fa Sun, Shuanghu Wang, Jianshe Ma, Kezhi Lin, Xianqin Wang, Guanyang Lin, Lufeng Hu.  (2015)  Serum metabolomics in rats models of ketamine abuse by gas chromatography–mass spectrometry.  JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES,      [PMID:26540436] [10.1016/j.jchromb.2015.10.037]

5. Congcong Wen, Zhiyi Wang, Meiling Zhang, Shuanghu Wang, Peiwu Geng, Fa Sun, Mengchun Chen, Guanyang Lin, Lufeng Hu, Jianshe Ma, Xianqin Wang.  (2015)  Metabolic changes in rat urine after acute paraquat poisoning and discriminated by support vector machine.  BIOMEDICAL CHROMATOGRAPHY,  30  (1): (75-80).  [PMID:26419410] [10.1002/bmc.3627]

6. Congcong Wen, Meiling Zhang, Jianshe Ma, Lufeng Hu, Xianqin Wang, Guanyang Lin.  (2015)  Urine metabolomics in rats after administration of ketamine.  Drug Design Development and Therapy,      [PMID:25678776] [10.2147/DDDT.S76898]

7. Meiling Zhang, Shihui Bao, Feiou Lin, Yingying Lin, Lijing Zhang, Mengzhi Xu, Xueli Huang, Congcong Wen, Lufeng Hu, Guanyang Lin.  (2015)  Metabolomics analysis in rats after administration of Datura stramonium.  International Journal of Clinical and Experimental Medicine,      [PMID:26885052] [PMID:26885052]

8. J Yu, H Wu, Z Lin, K Su, J Zhang, F Sun, X Wang, C Wen, H Cao, L Hu.  (2017)  Metabolic changes in rat serum after administration of suberoylanilide hydroxamic acid and discriminated by SVM.  HUMAN & EXPERIMENTAL TOXICOLOGY,      [PMID:28084089] [10.1177/0960327116688067]

9. Xuemei Ye, Aifang Huang, Xianqin Wang, Congcong Wen, Lufeng Hu, Guanyang Lin.  (2018)  Linezolid Inhibited Synthesis of ATP in Mitochondria: Based on GC-MS Metabolomics and HPLC Method.  Biomed Research International,      [PMID:30410924] [10.1155/2018/3128270]

10. Yuan Zhang, Nannan Wang, Meiling Zhang, Tingting Diao, Jingyue Tang, Mingzhu Dai, Suhong Chen, Guanyang Lin.  (2015)  Metabonomics study on Polygonum multiflorum induced liver toxicity in rats by GC-MS.  International Journal of Clinical and Experimental Medicine,      [PMID:26379894] [PMID:26379894]