CAS
94202-06-9 Purity
96%
94202-06-9 Purity
96%
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Tetraammonium[[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate
CAS
94202-09-2
Catalog Number
ACM94202092
Category
Other Products
Molecular Weight
399.404782 [g/mol]
Molecular Formula
C11H39N5O6P2
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Specification
Synonyms
EINECS 302-562-5, EINECS 303-701-2, Tetraammonium (((3,5,5-trimethylhexyl)imino)bis(methylene))diphosphonate, (((3,5,5-Trimethylhexyl)imino)bis(methylene))bisphosphonic acid, ammonium salt, 94113-30-1, 94202-09-2
IUPAC Name
tetraazanium 3,5,5-trimethyl-N,N-bis(phosphonatomethyl)hexan-1-amine
Canonical SMILES
CC(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CC(C)(C)C.[NH4+].[NH4+].[NH4+].[NH4+]
InChI Key
ATFJFVFPLSFJMZ-UHFFFAOYSA-N
EC Number
303-701-2
H-Bond Acceptor
7
H-Bond Donor
4
What is the molecular formula of Tetraammonium[[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate?
The molecular formula is C11H39N5O6P2.
When was Tetraammonium[[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate created?
It was created on August 20, 2009.
What is the IUPAC Name of Tetraammonium[[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate?
The IUPAC Name is tetraazanium;3,5,5-trimethyl-N,N-bis(phosphonatomethyl)hexan-1-amine.
What is the InChIKey of Tetraammonium[[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate?
The InChIKey is ATFJFVFPLSFJMZ-UHFFFAOYSA-N.
How many hydrogen bond donor counts does Tetraammonium[[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate have?
It has 4 hydrogen bond donor counts.
What is the exact mass of Tetraammonium[[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate?
The exact mass is 399.23755798 g/mol.
How many rotatable bond counts does Tetraammonium[[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate have?
It has 7 rotatable bond counts.
What is the topological polar surface area of Tetraammonium[[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate?
The topological polar surface area is 134 Å^2.
Does Tetraammonium[[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate have any defined atom stereocenter counts?
No, it does not have any defined atom stereocenter counts.
Is the compound canonicalized for Tetraammonium[[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate?
Yes, the compound is canonicalized.
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CAS
94202-10-5 Purity
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96%
