CAS
93893-77-7 Purity
96%
93893-77-7 Purity
96%
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2-Hydroxyisopropyl 4-oxo-4-[[2-(2-oxoimidazolidin-1-yl)ethyl]amino]isocrotonate
CAS
93893-82-4
Catalog Number
ACM93893824
Category
Other Products
Molecular Weight
285.2964
Molecular Formula
C12H19N3O5
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Specification
Synonyms
EINECS 299-674-9, 2-Hydroxyisopropyl 4-oxo-4-((2-(2-oxoimidazolidin-1-yl)ethyl)amino)isocrotonate, 93893-82-4
IUPAC Name
(Z)-2-(2-hydroxypropan-2-yl)-4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethylamino]but-2-enoic acid
InChI Key
WPAVXQGYLOYPKV-BQYQJAHWSA-N
Boiling Point
640.9±55.0 °C (760 mmHg)
Density
1.261g/cm³
Exact Mass
285.13200
H-Bond Acceptor
5
H-Bond Donor
4
What is the molecular formula of 2-Hydroxyisopropyl 4-oxo-4-[[2-(2-oxoimidazolidin-1-yl)ethyl]amino]isocrotonate?
The molecular formula is C12H18N3O5.
When was 2-Hydroxyisopropyl 4-oxo-4-[[2-(2-oxoimidazolidin-1-yl)ethyl]amino]isocrotonate created?
It was created on January 8, 2016.
What is the molecular weight of 2-Hydroxyisopropyl 4-oxo-4-[[2-(2-oxoimidazolidin-1-yl)ethyl]amino]isocrotonate?
The molecular weight is 284.29 g/mol.
What is the IUPAC name of 2-Hydroxyisopropyl 4-oxo-4-[[2-(2-oxoimidazolidin-1-yl)ethyl]amino]isocrotonate?
The IUPAC name is (Z)-2-(2-hydroxypropan-2-yl)-4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethylamino]but-2-enoate.
What is the InChIKey of 2-Hydroxyisopropyl 4-oxo-4-[[2-(2-oxoimidazolidin-1-yl)ethyl]amino]isocrotonate?
The InChIKey is WPAVXQGYLOYPKV-BQYQJAHWSA-M.
What is the Canonical SMILES of 2-Hydroxyisopropyl 4-oxo-4-[[2-(2-oxoimidazolidin-1-yl)ethyl]amino]isocrotonate?
The Canonical SMILES is CC(C)(C(=CC(=O)NCCN1CCNC1=O)C(=O)[O-])O.
What is the CAS number of 2-Hydroxyisopropyl 4-oxo-4-[[2-(2-oxoimidazolidin-1-yl)ethyl]amino]isocrotonate?
The CAS number is 93893-82-4.
What is the XLogP3-AA value of 2-Hydroxyisopropyl 4-oxo-4-[[2-(2-oxoimidazolidin-1-yl)ethyl]amino]isocrotonate?
The XLogP3-AA value is -1.2.
How many hydrogen bond donor counts are there in 2-Hydroxyisopropyl 4-oxo-4-[[2-(2-oxoimidazolidin-1-yl)ethyl]amino]isocrotonate?
There are 3 hydrogen bond donor counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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