CAS
94266-01-0 Purity
96%
94266-01-0 Purity
96%
![Dipotassium p-[4,5-dihydro-4-[[5-hydroxy-3-methyl-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]methylene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate](https://resource.alfa-chemistry.com/structure/94266-02-1.gif)
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tert-Butyl ethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate
CAS
94266-04-3
Catalog Number
ACM94266043
Category
Other Products
Molecular Weight
337.453740 [g/mol]
Molecular Formula
C19H31NO4
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Specification
Synonyms
EINECS 304-410-3, CID216400, tert-Butyl ethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate, 94266-04-3
IUPAC Name
5-O-tert-butyl 3-O-ethyl 4-butyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Canonical SMILES
CCCCC1C(=C(NC(=C1C(=O)OC(C)(C)C)C)C)C(=O)OCC
InChI Key
PRGMGHRCXVBSGZ-UHFFFAOYSA-N
Boiling Point
421.8ºC at 760mmHg
Flash Point
208.9ºC
Density
1.013g/cm³
EC Number
304-410-3
Exact Mass
337.22500
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of tert-Butyl ethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate?
The molecular formula is C19H31NO4.
When was tert-Butyl ethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate created in PubChem?
It was created on August 9, 2005.
What is the InChIKey of tert-Butyl ethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate?
The InChIKey is PRGMGHRCXVBSGZ-UHFFFAOYSA-N.
What is the XLogP3-AA value of tert-Butyl ethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate?
The XLogP3-AA value is 4.4.
How many hydrogen bond acceptors does tert-Butyl ethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate have?
It has 5 hydrogen bond acceptors.
What is the exact mass of tert-Butyl ethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate?
The exact mass is 337.22530847 g/mol.
How many rotatable bonds does tert-Butyl ethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate have?
It has 9 rotatable bonds.
What is the topological polar surface area of tert-Butyl ethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate?
The topological polar surface area is 64.6 Å2.
How many defined atom stereocenters does tert-Butyl ethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate have?
It has 0 defined atom stereocenters.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized.
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