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2-(TETRADECYLOXY)ANILINE , CAS No.41710-89-8
Basic Description
Synonyms
2-Tetradecyloxyaniline | 41710-89-8 | 2-(Tetradecyloxy)aniline | 2-Tetradecoxyaniline | Benzenamine, 2-(tetradecyloxy)- | O-TETRADECYLOXYANILINE | 2-myristyloxyaniline | EINECS 255-510-8 | SCHEMBL4950279 | DTXSID2068345 | AKOS003602424 | SB83093 | FT-0654370 | A825631
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Aminophenyl ethers
Intermediate Tree Nodes
Not available
Direct Parent
Aminophenyl ethers
Alternative Parents
Phenoxy compounds Aniline and substituted anilines Alkyl aryl ethers Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aminophenyl ether - Phenoxy compound - Aniline or substituted anilines - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine group on the benzene ring.
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
2-tetradecoxyaniline
INCHI
InChI=1S/C20H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-22-20-17-14-13-16-19(20)21/h13-14,16-17H,2-12,15,18,21H2,1H3
InChIKey
IXZBAJOADDIGIP-UHFFFAOYSA-N
Smiles
CCCCCCCCCCCCCCOC1=CC=CC=C1N
Isomeric SMILES
CCCCCCCCCCCCCCOC1=CC=CC=C1N
PubChem CID
117021
Molecular Weight
305.508
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
305.500 g/mol
XLogP3
7.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
14
Exact Mass
305.272 Da
Monoisotopic Mass
305.272 Da
Topological Polar Surface Area
35.300 Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
232.000
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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