CAS
93982-22-0 Purity
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93982-22-0 Purity
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Disodium N-(2-carboxylatoethyl)-N-9-octadecenyl-beta-alaninate
CAS
93982-27-5
Catalog Number
ACM93982275
Category
Other Products
Molecular Weight
455.582059 [g/mol]
Molecular Formula
C24H43NNa2O4
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Specification
Synonyms
EINECS 301-218-1, Disodium N-(2-carboxylatoethyl)-N-9-octadecenyl-beta-alaninate, 93982-27-5
IUPAC Name
disodium;3-[2-carboxylatoethyl-[(E)-octadec-9-enyl]amino]propanoate
Canonical SMILES
CCCCCCCCC=CCCCCCCCCN(CCC(=O)[O-])CCC(=O)[O-].[Na+].[Na+]
InChI Key
XLJQLZSGIBCDHN-TTWKNDKESA-L
EC Number
301-218-1
Exact Mass
455.29900
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of Disodium N-(2-carboxylatoethyl)-N-9-octadecenyl-beta-alaninate?
The molecular formula is C24H43NNa2O4.
What is the molecular weight of Disodium N-(2-carboxylatoethyl)-N-9-octadecenyl-beta-alaninate?
The molecular weight is 455.6 g/mol.
What is the IUPAC name of Disodium N-(2-carboxylatoethyl)-N-9-octadecenyl-beta-alaninate?
The IUPAC name is disodium;3-[2-carboxylatoethyl-[(E)-octadec-9-enyl]amino]propanoate.
What is the InChI of Disodium N-(2-carboxylatoethyl)-N-9-octadecenyl-beta-alaninate?
The InChI is InChI=1S/C24H45NO4.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25(21-18-23(26)27)22-19-24(28)29;;/h9-10H,2-8,11-22H2,1H3,(H,26,27)(H,28,29);;/q;2*+1/p-2/b10-9+;;.
What is the canonical SMILES of Disodium N-(2-carboxylatoethyl)-N-9-octadecenyl-beta-alaninate?
The canonical SMILES is CCCCCCCCC=CCCCCCCCCN(CCC(=O)[O-])CCC(=O)[O-].[Na+].[Na+].
What is the CAS number of Disodium N-(2-carboxylatoethyl)-N-9-octadecenyl-beta-alaninate?
The CAS number is 93982-27-5.
How many hydrogen bond donor counts does Disodium N-(2-carboxylatoethyl)-N-9-octadecenyl-beta-alaninate have?
It has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does Disodium N-(2-carboxylatoethyl)-N-9-octadecenyl-beta-alaninate have?
It has 5 hydrogen bond acceptor counts.
How many rotatable bond counts does Disodium N-(2-carboxylatoethyl)-N-9-octadecenyl-beta-alaninate have?
It has 20 rotatable bond counts.
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