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Triheptylamine [Reagent for Ion-Pair Chromatography] - >98.0%(GC)(T), high purity , CAS No.2411-36-1
Basic Description
Synonyms
J-015349 | AI3-24385 | MFCD00041936 | FT-0744261 | N,N-Diheptyl-1-heptanamine # | Triheptylamine, >=97.0% | n,n-diheptylheptan-1-amine | AKOS028108500 | EINECS 219-316-7 | SCHEMBL36284 | CAA41136 | Triheptylamine [Reagent for Ion-Pair Chromatography] | I0
Specifications & Purity
≥98%
Storage Temp
Argon charged
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Amines
Intermediate Tree Nodes
Tertiary amines
Direct Parent
Trialkylamines
Alternative Parents
Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Tertiary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as trialkylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three 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,N-diheptylheptan-1-amine
INCHI
InChI=1S/C21H45N/c1-4-7-10-13-16-19-22(20-17-14-11-8-5-2)21-18-15-12-9-6-3/h4-21H2,1-3H3
InChIKey
CLZGJKHEVKJLLS-UHFFFAOYSA-N
Smiles
CCCCCCCN(CCCCCCC)CCCCCCC
Isomeric SMILES
CCCCCCCN(CCCCCCC)CCCCCCC
PubChem CID
75483
Molecular Weight
311.6
Beilstein
4(4)735
Reaxy-Rn
1765773
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Hygroscopic
Refractive Index
1.45
Boil Point(°C)
155°C/5mmHg
Molecular Weight
311.600 g/mol
XLogP3
8.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
18
Exact Mass
311.355 Da
Monoisotopic Mass
311.355 Da
Topological Polar Surface Area
3.200 Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
157.000
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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B1915033
