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cis-1,3-Bis(aminomethyl)cyclohexane - >98.0%(GC)(T), high purity , CAS No.10340-00-8
Basic Description
Synonyms
cis-1,3-Bis(aminomethyl)cyclohexane | T70031 | [(1R,3S)-3-(aminomethyl)cyclohexyl]methanamine | EN300-7368266 | 1,3-Cyclohexanebis(methylamine), cis- | AKOS006338609 | 1-[(1R,3S)-3-(AMINOMETHYL)CYCLOHEXYL]METHANAMINE | cis-Hexahydro-m-xylylenediamine | 1,
Specifications & Purity
≥98%(GC)(T)
Storage Temp
Argon charged
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Amines
Intermediate Tree Nodes
Primary amines
Direct Parent
Monoalkylamines
Alternative Parents
Hydrocarbon derivatives
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Hydrocarbon derivative - Primary aliphatic amine - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic 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
Pubchem Sid
504764411
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504764411
IUPAC Name
[(1R,3S)-3-(aminomethyl)cyclohexyl]methanamine
INCHI
InChI=1S/C8H18N2/c9-5-7-2-1-3-8(4-7)6-10/h7-8H,1-6,9-10H2/t7-,8+
InChIKey
QLBRROYTTDFLDX-OCAPTIKFSA-N
Smiles
C1CC(CC(C1)CN)CN
Isomeric SMILES
C1C[C@H](C[C@H](C1)CN)CN
Molecular Weight
142.25
Reaxy-Rn
2071397
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2071397&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Air Sensitive
Refractive Index
1.49
Flash Point(°C)
106 °C
Boil Point(°C)
72°C/1mmHg(lit.)
Molecular Weight
142.240 g/mol
XLogP3
0.200
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
142.147 Da
Monoisotopic Mass
142.147 Da
Topological Polar Surface Area
52.000 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
83.300
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
1
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K2316180