CAS
94266-05-4 Purity
96%
94266-05-4 Purity
96%
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Bis-(tert-butyl)4-ethyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate
CAS
94266-08-7
Catalog Number
ACM94266087
Category
Other Products
Molecular Weight
337.453740 [g/mol]
Molecular Formula
C19H31NO4
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Specification
Synonyms
EINECS 304-415-0, CID216404, ZINC19594070, Bis(tert-butyl) 4-ethyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate, 94266-08-7
IUPAC Name
ditert-butyl 4-ethyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Canonical SMILES
CCC1C(=C(NC(=C1C(=O)OC(C)(C)C)C)C)C(=O)OC(C)(C)C
InChI Key
ALNNWLSGANVQOZ-UHFFFAOYSA-N
Boiling Point
413.1ºC at 760mmHg
Flash Point
203.6ºC
Density
1.013g/cm³
EC Number
304-415-0
Exact Mass
337.22500
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of Bis-(tert-butyl) 4-ethyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate?
The molecular formula is C19H31NO4.
When was Bis-(tert-butyl) 4-ethyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate created?
It was created on 2005-08-09.
What is the InChI for Bis-(tert-butyl) 4-ethyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate?
The InChI is InChI=1S/C19H31NO4/c1-10-13-14(16(21)23-18(4,5)6)11(2)20-12(3)15(13)17(22)24-19(7,8)9/h13,20H,10H2,1-9H3.
What is the Canonical SMILES of Bis-(tert-butyl) 4-ethyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate?
The Canonical SMILES is CCC1C(=C(NC(=C1C(=O)OC(C)(C)C)C)C)C(=O)OC(C)(C)C.
What is the molecular weight of Bis-(tert-butyl) 4-ethyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate?
The molecular weight is 337.5 g/mol.
How many Hydrogen Bond Donor Counts does Bis-(tert-butyl) 4-ethyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate have?
It has 1 Hydrogen Bond Donor Count.
What is the Topological Polar Surface Area of Bis-(tert-butyl) 4-ethyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate?
The Topological Polar Surface Area is 64.6 Å2.
How many Rotatable Bond Counts does Bis-(tert-butyl) 4-ethyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate have?
It has 7 Rotatable Bond Counts.
Is Bis-(tert-butyl) 4-ethyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate considered as Canonicalized compound?
Yes, it is considered as Canonicalized compound.
What is the Defined Atom Stereocenter Count of Bis-(tert-butyl) 4-ethyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate?
It has 0 Defined Atom Stereocenter Count.
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