(R)-1-(4-Chlorophenyl)ethanamine hydrochloride - ≥95% , CAS No.1167414-87-0

CAS: 1167414-87-0 Cat. No.: E733716 Summenformel: C₈H₁₀NCl•HCl Molekulargewicht: 192.08 EG-Nummer: 895-125-8

GRADE & PURITY ≥97%

Synonyms

R-4-chloro-伪-methylbenzylamine hydrochloride

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Specifications

Synonyme

R-4-chloro-伪-methylbenzylamine hydrochloride

Spezifikationen & Reinheit

≥97%

Storage

Room temperature,Argon charged,Desiccated

Verschickt in

Normal

Reinheit

≥97%

Product Line

E733716-50mg

Namen und Kennungen

Kanonisches Lächeln

CC(C1=CC=C(C=C1)Cl)N.Cl

IUPAC Name

(1R)-1-(4-chlorophenyl)ethanamine;hydrochloride

InChIKey

BADVPOKOZMYLPI-FYZOBXCZSA-N

INCHI

1S/C8H10ClN.ClH/c1-6(10)7-2-4-8(9)5-3-7;/h2-6H,10H2,1H3;1H/t6-;/m1./s1

Isomere SMILES

C[C@H](C1=CC=C(C=C1)Cl)N.Cl

Alternative CAS-Nummer

27298-99-3

Molekulargewicht

192.08

Reaxy-Rn

3696235

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3696235&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Aralkylamines Aryl chlorides Organopnictogen compounds Organochlorides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aralkylamine - Chlorobenzene - Aryl halide - Aryl chloride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive
• Molekulargewicht: 192.080 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 191.027 Da
• Monoisotopic Mass: 191.027 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 97.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1167414-87-0, the molecular formula is C8H10NCl?HCl, and the molecular weight is 192.08 g/mol. InChIKey BADVPOKOZMYLPI-FYZOBXCZSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.