CAS
938-75-0 Purity
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938-75-0 Purity
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![3,3',3'',3'''-[p-Phenylenebis[methylenenitrilobis(ethyleneoxy)]]tetrakis(propiononitrile)](https://resource.alfa-chemistry.com/structure/93882-04-3.gif)
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(+/-)-N-3-Benzylnirvanol
CAS
93879-40-4
Catalog Number
ACM93879404
Category
Other Products
Molecular Weight
294.35
Molecular Formula
C18H18N2O2
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Specification
Synonyms
5-Ethyl-5-phenyl-3-(phenylmethyl)-2,4-imidazolidinedione; 3-Benzyl-5-ethyl-5-phenyl-hydantoin;
IUPAC Name
3-benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione
Canonical SMILES
CCC1(C(=O)N(C(=O)N1)CC2=CC=CC=C2)C3=CC=CC=C3
InChI Key
ZMZDHUHMXXALFX-UHFFFAOYSA-N
Melting Point
134-136ºC
Density
1.19g/cm³
Appearance
White Solid
Exact Mass
294.13700
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of (+/-)-N-3-Benzylnirvanol?
The molecular formula is C18H18N2O2.
What is the molecular weight of (+/-)-N-3-Benzylnirvanol?
The molecular weight is 294.3 g/mol.
What is the IUPAC name of (+/-)-N-3-Benzylnirvanol?
The IUPAC name is 3-benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione.
What is the InChI of (+/-)-N-3-Benzylnirvanol?
The InChI is InChI=1S/C18H18N2O2/c1-2-18(15-11-7-4-8-12-15)16(21)20(17(22)19-18)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3,(H,19,22).
What is the InChIKey of (+/-)-N-3-Benzylnirvanol?
The InChIKey is ZMZDHUHMXXALFX-UHFFFAOYSA-N.
What is the canonical SMILES of (+/-)-N-3-Benzylnirvanol?
The canonical SMILES is CCC1(C(=O)N(C(=O)N1)CC2=CC=CC=C2)C3=CC=CC=C3.
What is the XLogP3-AA value of (+/-)-N-3-Benzylnirvanol?
The XLogP3-AA value is 3.
How many hydrogen bond donor counts does (+/-)-N-3-Benzylnirvanol have?
It has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does (+/-)-N-3-Benzylnirvanol have?
It has 2 hydrogen bond acceptor counts.
How many rotatable bond counts does (+/-)-N-3-Benzylnirvanol have?
It has 4 rotatable bond counts.
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