CAS
93964-84-2 Purity
96%
93964-84-2 Purity
96%
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4-[(2-Chloro-4-Nitrophenyl)azo]-N-[2-(dodecyloxy)ethyl]-n-ethyl-aniline
CAS
93964-88-6
Catalog Number
ACM93964886
Category
Other Products
Molecular Weight
517.103140 [g/mol]
Molecular Formula
C28H41ClN4O3
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Specification
Synonyms
EINECS 300-936-2, CID3023118, 4-((2-Chloro-4-nitrophenyl)azo)-N-(2-(dodecyloxy)ethyl)-N-ethyl-aniline, 93964-88-6
IUPAC Name
4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-dodecoxyethyl)-N-ethylaniline
Canonical SMILES
CCCCCCCCCCCCOCCN(CC)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI Key
AECRWDRUAXJGIE-UHFFFAOYSA-N
Boiling Point
626.5ºC at 760mmHg
Flash Point
332.7ºC
Density
1.11g/cm³
EC Number
300-936-2
Exact Mass
516.28700
H-Bond Acceptor
6
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula is C28H41ClN4O3.
What are some synonyms for the compound?
Some synonyms include EINECS 300-936-2, 93964-88-6, and 4-[(2-Chloro-4-Nitrophenyl)azo]-N-[2-(dodecyloxy)ethyl]-n-ethyl-aniline.
When was the compound created and modified in PubChem?
The compound was created on 2005-08-08 and modified on 2023-12-30.
What is the molecular weight of the compound?
The molecular weight is 517.1 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-dodecoxyethyl)-N-ethylaniline.
What is the InChIKey of the compound?
The InChIKey is AECRWDRUAXJGIE-UHFFFAOYSA-N.
How many hydrogen bond acceptor count does the compound have?
The compound has 6 hydrogen bond acceptor count.
What is the topological polar surface area of the compound?
The topological polar surface area is 83.2.
How many rotatable bond count does the compound have?
The compound has 18 rotatable bond count.
Is the compound is canonicalized according to PubChem?
Yes, the compound is canonicalized according to PubChem.
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