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1,1-cyclobutanedimethanamine - 97%, high purity , CAS No.38932-71-7
Basic Description
Synonyms
1,1-Cyclobutanedimethanamine | 38932-71-7 | [1-(aminomethyl)cyclobutyl]methanamine | cyclobutane-1,1-diyldimethanamine | 1,1-Di(aminomethyl)cyclobutane | 1,1-Cyclobutanebis(methanamine) | 1-[1-(AMINOMETHYL)CYCLOBUTYL]METHANAMINE | SCHEMBL4117794 | OBEQILXWAPILBH-UHFFFAOY
Specifications & Purity
≥97%
Storage Temp
Room temperature
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
Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Organopnictogen compound - 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
IUPAC Name
[1-(aminomethyl)cyclobutyl]methanamine
INCHI
InChI=1S/C6H14N2/c7-4-6(5-8)2-1-3-6/h1-5,7-8H2
InChIKey
OBEQILXWAPILBH-UHFFFAOYSA-N
Smiles
C1CC(C1)(CN)CN
Isomeric SMILES
C1CC(C1)(CN)CN
Molecular Weight
114.1888
Reaxy-Rn
13339653
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13339653&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
114.190 g/mol
XLogP3
-0.500
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
114.116 Da
Monoisotopic Mass
114.116 Da
Topological Polar Surface Area
52.000 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
70.600
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
1
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