CAS
97643-35-1 Purity
95%
97643-35-1 Purity
95%
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18-(Dibutylamino)-10-hydroxy-18-oxooctadecane-9-sulfonic acid
CAS
97645-26-6
Catalog Number
ACM97645266
Category
Other Products
Molecular Weight
491.767720 [g/mol]
Molecular Formula
C26H53NO5S
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Specification
Synonyms
EINECS 307-424-8, CID107054, 18-(Dibutylamino)-10-hydroxy-18-oxooctadecane-9-sulphonic acid, 97645-26-6
IUPAC Name
18-(dibutylamino)-10-hydroxy-18-oxooctadecane-9-sulfonic acid
Canonical SMILES
CCCCCCCCC(C(CCCCCCCC(=O)N(CCCC)CCCC)O)S(=O)(=O)O
InChI Key
SVNCGUOHHSGPSE-UHFFFAOYSA-N
Density
1.026g/cm³
EC Number
307-424-8
Exact Mass
491.36400
H-Bond Acceptor
5
H-Bond Donor
2
What is the molecular formula of 18-(dibutylamino)-10-hydroxy-18-oxooctadecane-9-sulfonic acid?
The molecular formula is C26H53NO5S.
When was 18-(dibutylamino)-10-hydroxy-18-oxooctadecane-9-sulfonic acid created and modified?
It was created on 2005-08-08 and modified on 2023-12-30.
What is the molecular weight of 18-(dibutylamino)-10-hydroxy-18-oxooctadecane-9-sulfonic acid?
The molecular weight is 491.8 g/mol.
What is the InChIKey of 18-(dibutylamino)-10-hydroxy-18-oxooctadecane-9-sulfonic acid?
The InChIKey is SVNCGUOHHSGPSE-UHFFFAOYSA-N.
How many Hydrogen Bond Donor Count does 18-(dibutylamino)-10-hydroxy-18-oxooctadecane-9-sulfonic acid have?
It has 2 Hydrogen Bond Donor Count.
What is the topological polar surface area of 18-(dibutylamino)-10-hydroxy-18-oxooctadecane-9-sulfonic acid?
The topological polar surface area is 103 Ų.
How many rotatable bond counts does 18-(dibutylamino)-10-hydroxy-18-oxooctadecane-9-sulfonic acid have?
It has 23 rotatable bond counts.
Is 18-(dibutylamino)-10-hydroxy-18-oxooctadecane-9-sulfonic acid a canonicalized compound?
Yes, it is a canonicalized compound.
What is the XLogP3-AA value of 18-(dibutylamino)-10-hydroxy-18-oxooctadecane-9-sulfonic acid?
The XLogP3-AA value is 7.1.
What is the CAS number of 18-(dibutylamino)-10-hydroxy-18-oxooctadecane-9-sulfonic acid?
The CAS number is 97645-26-6.
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97645-27-7 Purity
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97646-31-6 Purity
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97646-31-6 Purity
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