O-Benzylhydroxylamine Hydrochloride - ≥98%(T) , CAS No.2687-43-6

CAS: 2687-43-6 Cat. No.: O159948 Molecular Weight: 159.61 EC Number: 220-249-0

GRADE & PURITY ≥98%(T)

Synonyms

BDBM50090505 | NCGC00245984-01 | 0-benzyl hydroxylamine hydrochloride | HYDZPXNVHXJHBG-UHFFFAOYSA-N | SB76532 | SCHEMBL128937 | STR06086 | BnONH2HCl | BnONH2-HCl | EINECS 220-249-0 | MFCD00012952 | Q-102384 | Benzyloxyamine hydrochloride | F0001-0878 | N-

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

BDBM50090505 | NCGC00245984-01 | 0-benzyl hydroxylamine hydrochloride | HYDZPXNVHXJHBG-UHFFFAOYSA-N | SB76532 | SCHEMBL128937 | STR06086 | BnONH2HCl | BnONH2-HCl | EINECS 220-249-0 | MFCD00012952 | Q-102384 | Benzyloxyamine hydrochloride | F0001-0878 | N-

Specifications & Purity

≥98%(T)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(T)

Names and Identifiers

• Pubchem Sid: 488187295
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187295
• Canonical Smiles: C1=CC=C(C=C1)CON.Cl
• IUPAC Name: O-benzylhydroxylamine;hydrochloride
• InChIKey: HYDZPXNVHXJHBG-UHFFFAOYSA-N
• INCHI: 1S/C7H9NO.ClH/c8-9-6-7-4-2-1-3-5-7;/h1-5H,6,8H2;1H
• Isomeric SMILES: C1=CC=C(C=C1)CON.Cl
• WGK Germany: 3
• RTECS: NC3040000
• Molecular Weight: 159.61
• Reaxy-Rn: 3595440
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3595440&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Organooxygen compounds Organic nitrogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO and methanol.
• Sensitivity: Hygroscopic
• Melt Point(°C): 238°C(subl.)(lit.)
• Molecular Weight: 159.610 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 159.045 Da
• Monoisotopic Mass: 159.045 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 69.300
• 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. Jiaqi Cui, Jianxun Zhang, Shihao Sun, Wu Fan, Hui Xi, Xiujuan Xu, Lingbo Ji, Shusheng Zhang, Dingzhong Wang, Wuduo Zhao.  (2023)  Rapid and sensitive determination of free fatty acids based on in-source microdroplet-driven derivatization coupled with high-resolution mass spectrometry.  ANALYTICA CHIMICA ACTA,      [PMID:37709460] [10.1016/j.aca.2023.341717]

2. Yingyu Zhang, Yuan Sun, Yupei Liu, Jiameng Liu, Jing Sun, Yajuan Bai, Bei Fan, Cong Lu, Fengzhong Wang.  (2023)  Polygonum sibiricum polysaccharides alleviate chronic unpredictable mild stress-induced depressive-like behaviors by regulating the gut microbiota composition and SCFAs levels.  Journal of Functional Foods,      [PMID:] [10.1016/j.jff.2023.105411]