Cyclohexylamine hydrochloride - ≥98% , CAS No.4998-76-9

CAS: 4998-76-9 Cat. No.: C103892 Molecular Weight: 135.638 Beilstein Registry Number: 12(3)12 EC Number: 225-661-4

GRADE & PURITY ≥98%

Synonyms

2-aminocyclohexane hydrochloride | CYCLOHEXYLAMINE, HYDROCHLORIDE | SCHEMBL960719 | Cyclohexylamine hydrochloride; 98% | cyclohexanamine;hydrochloride | AKOS015894458 | Cyclohexylamine.HCl | Cyclohexanamine, hydrochloride (1:1) | 3-METHYL-2-PHENYLAMINO-BE

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

2-aminocyclohexane hydrochloride | CYCLOHEXYLAMINE, HYDROCHLORIDE | SCHEMBL960719 | Cyclohexylamine hydrochloride; 98% | cyclohexanamine;hydrochloride | AKOS015894458 | Cyclohexylamine.HCl | Cyclohexanamine, hydrochloride (1:1) | 3-METHYL-2-PHENYLAMINO-BE

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CCC(CC1)N.Cl
• IUPAC Name: cyclohexanamine;hydrochloride
• InChIKey: ZJUGSKJHHWASAF-UHFFFAOYSA-N
• INCHI: 1S/C6H13N.ClH/c7-6-4-2-1-3-5-6;/h6H,1-5,7H2;1H
• Isomeric SMILES: C1CCC(CC1)N.Cl
• RTECS: GX1440000
• Molecular Weight: 135.638
• Beilstein: 12(3)12
• Reaxy-Rn: 3613002
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3613002&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Cyclohexylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Cyclohexylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexylamines
• Alternative Parents: Organopnictogen compounds Organic chloride salts Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexylamine - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Primary amine - Primary aliphatic amine - Amine - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cyclohexylamines. These are organic compounds containing a cyclohexylamine moiety, which consist of a cyclohexane ring attached to an amine group.
• 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

• Sensitivity: Hygroscopic
• Boil Point(°C): 306°C
• Melt Point(°C): 206-207°C
• Molecular Weight: 135.630 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 135.081 Da
• Monoisotopic Mass: 135.081 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 46.100
• 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. Yongshuai Liu, Wenyi Lu, Fengkai Zuo, Shaochong Cao, Pengshu Yi, Longli Ma, Zhu Liu, Shan He, Zhouhong Ren, Liang Cao, Mingxin Ye, Jianfeng Shen.  (2026)  Bilateral Nitrogen Interface Chemistry for Dendrite-Free Zinc–Iodine Batteries with Enhanced Four-Electron Redox Activity.  ACS Nano,      [PMID:41653153] [10.1021/acsnano.5c16195]