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N-methyldecan-1-amine - ≥98%, high purity , CAS No.7516-82-7
Basic Description
Specifications & Purity
≥98%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Amines
Intermediate Tree Nodes
Secondary amines
Direct Parent
Dialkylamines
Alternative Parents
Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Secondary aliphatic amine - Hydrocarbon derivative - 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.
Names and Identifiers
IUPAC Name
N-methyldecan-1-amine
INCHI
InChI=1S/C11H25N/c1-3-4-5-6-7-8-9-10-11-12-2/h12H,3-11H2,1-2H3
InChIKey
IKVDMBQGHZVMRN-UHFFFAOYSA-N
Smiles
CCCCCCCCCCNC
Isomeric SMILES
CCCCCCCCCCNC
PubChem CID
4181541
Molecular Weight
171.32
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
171.320 g/mol
XLogP3
4.800
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
9
Exact Mass
171.199 Da
Monoisotopic Mass
171.199 Da
Topological Polar Surface Area
12.000 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
71.400
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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