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N,N-Diethyl-4-nitrosoaniline - >98.0%(HPLC), high purity , CAS No.120-22-9
Basic Description
Synonyms
NSC 5418 | EINECS 204-379-5 | AKOS002318224 | 4-Nitroso-N,N-diethylaniline | CCRIS 3087 | 4-12-00-01559 (Beilstein Handbook Reference) | D91662 | Benzenamine, N,N-diethyl-4-nitroso- | SCHEMBL146443 | 5QX2AS44RV | AI3-15392 | NSC5418 | NSC-5418 | Diethyl-p
Specifications & Purity
≥98%(HPLC)
Storage Temp
Protected from light
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Amines
Intermediate Tree Nodes
Tertiary amines - Tertiary alkylarylamines
Direct Parent
Dialkylarylamines
Alternative Parents
Aniline and substituted anilines Propargyl-type 1,3-dipolar organic compounds C-nitroso compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aniline or substituted anilines - Dialkylarylamine - Benzenoid - Monocyclic benzene moiety - Organic nitroso compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - C-nitroso compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic 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
504754119
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504754119
IUPAC Name
N,N-diethyl-4-nitrosoaniline
INCHI
InChI=1S/C10H14N2O/c1-3-12(4-2)10-7-5-9(11-13)6-8-10/h5-8H,3-4H2,1-2H3
InChIKey
OLNMJIHADFYHAK-UHFFFAOYSA-N
Smiles
CCN(CC)C1=CC=C(C=C1)N=O
Isomeric SMILES
CCN(CC)C1=CC=C(C=C1)N=O
RTECS
BX3610000
Alternate CAS
120-22-9
NSC Number
5418
UN Number
2926
Packing Group
II
MeSH Entry Terms
4-nitroso-N,N-diethylaniline;p-nitroso-N,N-diethylaniline;para-nitroso-N,N-diethylaniline
Molecular Weight
178.24
Beilstein
12684
Reaxy-Rn
2804428
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2804428&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in ethanol, ether, slightly soluble in water
Sensitivity
Light Sensitive,Air Sensitive,Heat Sensitive
Melt Point(°C)
80.0 - 85.0 °C
Molecular Weight
178.230 g/mol
XLogP3
2.100
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
178.111 Da
Monoisotopic Mass
178.111 Da
Topological Polar Surface Area
32.700 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
149.000
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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