The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
4-(2-Octylamino)diphenylamine - 98%, high purity , CAS No.15233-47-3
Basic Description
Synonyms
A884027 | CAS-15233-47-3 | EINECS 239-281-1 | Tox21_301489 | p-Phenylenediamine, N-(1-methylheptyl)-N'-phenyl- | Mesoweinsaeure | (E)-Crotonaldehyde | FT-0704706 | N-(1-Methylheptyl)-N'-phenyl-1,4-phenylenediamine | UNII-RY178VY9BI | CS-0447277 | N-(1-Met
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
Aralkylamines
Direct Parent
Phenylalkylamines
Alternative Parents
Aniline and substituted anilines Secondary alkylarylamines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Secondary amine - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylalkylamines. These are organic amines where the amine group is secondary and linked on one end to a phenyl group and on the other end, to an alkyl 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
Pubchem Sid
488186346
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488186346
IUPAC Name
4-N-octan-2-yl-1-N-phenylbenzene-1,4-diamine
INCHI
InChI=1S/C20H28N2/c1-3-4-5-7-10-17(2)21-19-13-15-20(16-14-19)22-18-11-8-6-9-12-18/h6,8-9,11-17,21-22H,3-5,7,10H2,1-2H3
InChIKey
JQTYAZKTBXWQOM-UHFFFAOYSA-N
Smiles
CCCCCCC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2
Isomeric SMILES
CCCCCCC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2
Molecular Weight
296.46
Reaxy-Rn
2855607
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2855607&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Air Sensitive
Refractive Index
1.59
Molecular Weight
296.400 g/mol
XLogP3
6.800
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
9
Exact Mass
296.225 Da
Monoisotopic Mass
296.225 Da
Topological Polar Surface Area
24.100 Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
265.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
F2305998