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LAURYLAMINO PROPYLAMINE - ≥85%, high purity , CAS No.5538-95-4
Basic Description
Specifications & Purity
≥85%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Amines
Intermediate Tree Nodes
Secondary amines
Direct Parent
Dialkylamines
Alternative Parents
Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Secondary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary aliphatic amine - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as dialkylamines. These are organic compounds containing a dialkylamine group, characterized by two alkyl groups bonded to the amino nitrogen.
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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
N'-dodecylpropane-1,3-diamine
INCHI
InChI=1S/C15H34N2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16/h17H,2-16H2,1H3
InChIKey
XMMDVXFQGOEOKH-UHFFFAOYSA-N
Smiles
CCCCCCCCCCCCNCCCN
Isomeric SMILES
CCCCCCCCCCCCNCCCN
PubChem CID
79670
Molecular Weight
242.45
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
242.440 g/mol
XLogP3
4.800
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
14
Exact Mass
242.272 Da
Monoisotopic Mass
242.272 Da
Topological Polar Surface Area
38.100 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
126.000
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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