CAS
93964-85-3 Purity
96%
93964-85-3 Purity
96%
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N-[2-(Dodecyloxy)ethyl]-N-ethyl-4-[(4-nitrophenyl)azo]aniline
CAS
93964-89-7
Catalog Number
ACM93964897
Category
Other Products
Molecular Weight
482.65808
Molecular Formula
C28H42N4O3
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Specification
Synonyms
EINECS 300-937-8, CID3023119, N-(2-(Dodecyloxy)ethyl)-N-ethyl-4-((4-nitrophenyl)azo)aniline, 93964-89-7
IUPAC Name
N-(2-dodecoxyethyl)-N-ethyl-4-[(4-nitrophenyl)diazenyl]aniline
Canonical SMILES
CCCCCCCCCCCCOCCN(CC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]
InChI Key
HPYDMCBDLHYDQV-UHFFFAOYSA-N
Density
1.05g/cm³
EC Number
300-937-8
H-Bond Acceptor
6
H-Bond Donor
0
What is the molecular formula of the compound N-[2-(Dodecyloxy)ethyl]-N-ethyl-4-[(4-nitrophenyl)azo]aniline?
The molecular formula is C28H42N4O3.
When was this compound created according to the reference?
It was created on August 8, 2005.
What is the IUPAC name of the compound?
The IUPAC name is N-(2-dodecoxyethyl)-N-ethyl-4-[(4-nitrophenyl)diazenyl]aniline.
What is the InChIKey of the compound?
The InChIKey is HPYDMCBDLHYDQV-UHFFFAOYSA-N.
How many hydrogen bond acceptors are present in the compound?
There are 6 hydrogen bond acceptors.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 9.5.
What is the exact mass of the compound?
The exact mass is 482.32569121 g/mol.
How many rotatable bond counts are there in the compound?
There are 18 rotatable bond counts.
What is the heavy atom count of the compound?
The heavy atom count is 35.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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