CAS
94201-89-5 Purity
96%
94201-89-5 Purity
96%
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4,5-Dihydroxy-1,3-dioctadecylimidazolidin-2-one
CAS
94201-98-6
Catalog Number
ACM94201986
Category
Other Products
Molecular Weight
623.048220 [g/mol]
Molecular Formula
C39H78N2O3
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Specification
Synonyms
EINECS 303-689-9, CID3024016, 4,5-Dihydroxy-1,3-dioctadecylimidazolidin-2-one, 2-Imidazolidinone, 4,5-dihydroxy-1,3-dioctadecyl-, 94201-98-6
IUPAC Name
4,5-dihydroxy-1,3-dioctadecylimidazolidin-2-one
Canonical SMILES
CCCCCCCCCCCCCCCCCCN1C(C(N(C1=O)CCCCCCCCCCCCCCCCCC)O)O
InChI Key
SCNNOKZJJRXMQA-UHFFFAOYSA-N
Boiling Point
692.6ºC at 760mmHg
Flash Point
372.7ºC
Density
0.937g/cm³
EC Number
303-689-9
Exact Mass
622.60100
H-Bond Acceptor
3
H-Bond Donor
2
What is the molecular formula of 4,5-Dihydroxy-1,3-dioctadecylimidazolidin-2-one?
The molecular formula is C39H78N2O3.
What is the molecular weight of 4,5-Dihydroxy-1,3-dioctadecylimidazolidin-2-one?
The molecular weight is 623.0 g/mol.
When was 4,5-Dihydroxy-1,3-dioctadecylimidazolidin-2-one created and last modified on PubChem?
It was created on August 8, 2005, and last modified on December 30, 2023.
What is the IUPAC name of 4,5-Dihydroxy-1,3-dioctadecylimidazolidin-2-one?
The IUPAC name is 4,5-dihydroxy-1,3-dioctadecylimidazolidin-2-one.
What is the Canonical SMILES representation of 4,5-Dihydroxy-1,3-dioctadecylimidazolidin-2-one?
The Canonical SMILES representation is CCCCCCCCCCCCCCCCCCN1C(C(N(C1=O)CCCCCCCCCCCCCCCCCC)O)O.
What is the InChIKey of 4,5-Dihydroxy-1,3-dioctadecylimidazolidin-2-one?
The InChIKey is SCNNOKZJJRXMQA-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in 4,5-Dihydroxy-1,3-dioctadecylimidazolidin-2-one?
There are 2 hydrogen bond donor counts.
What is the XLogP3-AA value for 4,5-Dihydroxy-1,3-dioctadecylimidazolidin-2-one?
The XLogP3-AA value is 16.1.
How many rotatable bond counts are there in 4,5-Dihydroxy-1,3-dioctadecylimidazolidin-2-one?
There are 34 rotatable bond counts.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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