CAS
93859-43-9 Purity
96%
93859-43-9 Purity
96%
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(Z)-N-Octadec-9-enylpropane-1,3-diyldiammonium bis(hydroxyacetate)
CAS
93859-51-9
Catalog Number
ACM93859519
Category
Other Products
Molecular Weight
476.690180 [g/mol]
Molecular Formula
C21H44N2.2C2H4O3
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Specification
Synonyms
(Z)-N-Octadec-9-enylpropane-1,3-diyldiammonium bis(hydroxyacetate), 93859-51-9, CTK5H3661, AG-H-84424
IUPAC Name
3-azaniumylpropyl(octadec-9-enyl)azanium;2-hydroxyacetate
Canonical SMILES
CCCCCCCCC=CCCCCCCCC[NH2+]CCC[NH₃+].C(C(=O)[O-])O.C(C(=O)[O-])O
InChI Key
WHNDJHDROKNHQP-UHFFFAOYSA-N
EC Number
299-390-5
H-Bond Acceptor
6
H-Bond Donor
4
What is the molecular formula of (Z)-N-Octadec-9-enylpropane-1,3-diyldiammonium bis(hydroxyacetate)?
The molecular formula is C25H52N2O6.
When was (Z)-N-Octadec-9-enylpropane-1,3-diyldiammonium bis(hydroxyacetate) created in PubChem?
It was created on August 20, 2009.
What is the IUPAC name of (Z)-N-Octadec-9-enylpropane-1,3-diyldiammonium bis(hydroxyacetate)?
The IUPAC name is 3-azaniumylpropyl-[(Z)-octadec-9-enyl]azanium;2-hydroxyacetate.
What is the Canonical SMILES for (Z)-N-Octadec-9-enylpropane-1,3-diyldiammonium bis(hydroxyacetate)?
The Canonical SMILES is CCCCCCCCC=CCCCCCCCC[NH2+]CCC[NH3+].C(C(=O)[O-])O.C(C(=O)[O-])O.
What is the molecular weight of (Z)-N-Octadec-9-enylpropane-1,3-diyldiammonium bis(hydroxyacetate)?
The molecular weight is 476.7 g/mol.
What is the InChIKey for (Z)-N-Octadec-9-enylpropane-1,3-diyldiammonium bis(hydroxyacetate)?
The InChIKey is WHNDJHDROKNHQP-XXAVUKJNSA-N.
How many hydrogen bond donor counts are there in (Z)-N-Octadec-9-enylpropane-1,3-diyldiammonium bis(hydroxyacetate)?
There are 4 hydrogen bond donor counts.
What is the Heavy Atom Count of (Z)-N-Octadec-9-enylpropane-1,3-diyldiammonium bis(hydroxyacetate)?
The Heavy Atom Count is 33.
Is (Z)-N-Octadec-9-enylpropane-1,3-diyldiammonium bis(hydroxyacetate) canonicalized?
Yes, the compound is canonicalized.
When was (Z)-N-Octadec-9-enylpropane-1,3-diyldiammonium bis(hydroxyacetate) last modified in PubChem?
It was last modified on December 30, 2023.
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