CAS
93762-17-5 Purity
96%
93762-17-5 Purity
96%
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Sodium trihydrogen[[[3-(1,3-dimethylbutoxy)propyl]imino]bis(methylene)]bisphosphonate
CAS
93762-21-1
Catalog Number
ACM93762211
Category
Other Products
Molecular Weight
369.263932 [g/mol]
Molecular Formula
C11H27NO7P2Na
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Specification
Synonyms
EINECS 297-734-9, Sodium trihydrogen (((3-(1,3-dimethylbutoxy)propyl)imino)bis(methylene))bisphosphonate, 93762-21-1
IUPAC Name
sodium hydroxy-[[3-(4-methylpentan-2-yloxy)propyl-(phosphonomethyl)amino]methyl]phosphinate
Canonical SMILES
CC(C)CC(C)OCCCN(CP(=O)(O)O)CP(=O)(O)[O-].[Na+]
InChI Key
IIJRGBSRPWYALV-UHFFFAOYSA-M
EC Number
297-734-9
Exact Mass
369.10800
H-Bond Acceptor
8
H-Bond Donor
3
What is the molecular formula of Sodium trihydrogen[[[3-(1,3-dimethylbutoxy)propyl)imino]bis(methylene)]bisphosphonate?
The molecular formula is C11H26NNaO7P2.
What is the molecular weight of Sodium trihydrogen[[[3-(1,3-dimethylbutoxy)propyl)imino]bis(methylene)]bisphosphonate?
The molecular weight is 369.26 g/mol.
What is the IUPAC name of Sodium trihydrogen[[[3-(1,3-dimethylbutoxy)propyl)imino]bis(methylene)]bisphosphonate?
The IUPAC name is sodium;hydroxy-[[3-(4-methylpentan-2-yloxy)propyl-(phosphonomethyl)amino]methyl]phosphinate.
What is the Canonical SMILES of Sodium trihydrogen[[[3-(1,3-dimethylbutoxy)propyl)imino]bis(methylene)]bisphosphonate?
The Canonical SMILES is CC(C)CC(C)OCCCN(CP(=O)(O)O)CP(=O)(O)[O-].[Na+].
What is the CAS number of Sodium trihydrogen[[[3-(1,3-dimethylbutoxy)propyl)imino]bis(methylene)]bisphosphonate?
The CAS number is 93762-21-1.
How many hydrogen bond donor counts does Sodium trihydrogen[[[3-(1,3-dimethylbutoxy)propyl)imino]bis(methylene)]bisphosphonate have?
It has 3 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does Sodium trihydrogen[[[3-(1,3-dimethylbutoxy)propyl)imino]bis(methylene)]bisphosphonate have?
It has 8 hydrogen bond acceptor counts.
What is the topological polar surface area of Sodium trihydrogen[[[3-(1,3-dimethylbutoxy)propyl)imino]bis(methylene)]bisphosphonate?
The topological polar surface area is 130 Å2.
How many rotatable bond counts does Sodium trihydrogen[[[3-(1,3-dimethylbutoxy)propyl)imino]bis(methylene)]bisphosphonate have?
It has 11 rotatable bond counts.
Is Sodium trihydrogen[[[3-(1,3-dimethylbutoxy)propyl)imino]bis(methylene)]bisphosphonate canonicalized?
Yes, it is canonicalized.
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CAS
93762-22-2 Purity
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93762-22-2 Purity
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