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cis-cyclohexane-1,3-diamine dihydrochloride - 97%, high purity , CAS No.498532-32-4
Discover cis-cyclohexane-1,3-diamine dihydrochloride by Aladdin Scientific in 97% for only $81.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
498532-32-4 | (1R,3S)-Cyclohexane-1,3-diamine dihydrochloride | cis-cyclohexane-1,3-diamine dihydrochloride | (1R,3S)-rel-Cyclohexane-1,3-diamine dihydrochloride | (1R,3S)-CYCLOHEXANE-1,3-DIAMINE 2HCL | 1,3-Cyclohexanediamine, dihydrochloride, (1R,3S)-rel- | MFCD2640
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Cyclohexylamines
Intermediate Tree Nodes
Not available
Direct Parent
Cyclohexylamines
Alternative Parents
Quaternary ammonium salts Organic chloride salts Monoalkylamines Hydrocarbon derivatives Organic cations
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Cyclohexylamine - Quaternary ammonium salt - Hydrocarbon derivative - Organic chloride salt - Organic salt - Primary amine - Primary aliphatic amine - Amine - Organic cation - 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.
Names and Identifiers
IUPAC Name
(1S,3R)-cyclohexane-1,3-diamine;dihydrochloride
INCHI
InChI=1S/C6H14N2.2ClH/c7-5-2-1-3-6(8)4-5;;/h5-6H,1-4,7-8H2;2*1H/t5-,6+;;
InChIKey
ABDGJCKNZHDDLV-RUTFAPCESA-N
Smiles
C1CC(CC(C1)N)N.Cl.Cl
Isomeric SMILES
C1C[C@H](C[C@H](C1)N)N.Cl.Cl
PubChem CID
68466394
Molecular Weight
187.111
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
187.110 g/mol
XLogP3
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
186.069 Da
Monoisotopic Mass
186.069 Da
Topological Polar Surface Area
52.000 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
64.900
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
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
3
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