CAS
94202-01-4 Purity
96%
94202-01-4 Purity
96%
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Tetraammonium[(butylimino)bis(methylene)]bisphosphonate
CAS
94202-04-7
Catalog Number
ACM94202047
Category
Other Products
Molecular Weight
329.271882 [g/mol]
Molecular Formula
C6H29N5O6P2
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Specification
Synonyms
EINECS 302-567-2, EINECS 303-696-7, Tetraammonium ((butylimino)bis(methylene))bisphosphonate, ((Butylimino)bis(methylene))bisphosphonic acid, ammonium salt, 94113-35-6, 94202-04-7
IUPAC Name
tetraazanium N,N-bis(phosphonatomethyl)butan-1-amine
Canonical SMILES
CCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+]
InChI Key
AIEOQRSNYBZOFK-UHFFFAOYSA-N
EC Number
303-696-7
H-Bond Acceptor
7
H-Bond Donor
4
What is the molecular formula of Tetraammonium[(butylimino)bis(methylene)]bisphosphonate?
The molecular formula is C6H29N5O6P2.
What is the molecular weight of Tetraammonium[(butylimino)bis(methylene)]bisphosphonate?
The molecular weight is 329.27 g/mol.
What is the IUPAC name of Tetraammonium[(butylimino)bis(methylene)]bisphosphonate?
The IUPAC name is tetraazanium;N,N-bis(phosphonatomethyl)butan-1-amine.
What is the Canonical SMILES representation of Tetraammonium[(butylimino)bis(methylene)]bisphosphonate?
The Canonical SMILES is CCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+].
What is the InChIKey of Tetraammonium[(butylimino)bis(methylene)]bisphosphonate?
The InChIKey is AIEOQRSNYBZOFK-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in Tetraammonium[(butylimino)bis(methylene)]bisphosphonate?
There are 4 hydrogen bond donor counts.
How many hydrogen bond acceptor counts are there in Tetraammonium[(butylimino)bis(methylene)]bisphosphonate?
There are 7 hydrogen bond acceptor counts.
What is the exact mass of Tetraammonium[(butylimino)bis(methylene)]bisphosphonate?
The exact mass is 329.15930766 g/mol.
What is the topological polar surface area of Tetraammonium[(butylimino)bis(methylene)]bisphosphonate?
The topological polar surface area is 134 Ų.
Is Tetraammonium[(butylimino)bis(methylene)]bisphosphonate a canonicalized compound?
Yes, it is a canonicalized compound.
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