CAS
94021-23-5 Purity
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94021-23-5 Purity
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Tetraammonium dihydrogen[nitrilotris(methylene)]trisphosphonate
CAS
94021-27-9
Catalog Number
ACM94021279
Category
Other Products
Molecular Weight
367.172043 [g/mol]
Molecular Formula
C3H24N5O9P3
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Specification
Synonyms
6419-19-8 (Parent), EINECS 301-421-5, Tetraammonium dihydrogen (nitrilotris(methylene))trisphosphonate, 94021-27-9
IUPAC Name
tetraazanium [bis(phosphonatomethyl)amino]methylphosphonic acid
Canonical SMILES
C(N(CP(=O)([O-])[O-])CP(=O)([O-])[O-])P(=O)(O)O.[NH4+].[NH4+].[NH4+].[NH4+]
InChI Key
DYAGPABPDGVONC-UHFFFAOYSA-N
EC Number
301-421-5
H-Bond Acceptor
10
H-Bond Donor
6
What is the molecular formula of Tetraammonium dihydrogen[nitrilotris(methylene)]trisphosphonate?
The molecular formula of Tetraammonium dihydrogen[nitrilotris(methylene)]trisphosphonate is C3H24N5O9P3.
What is the molecular weight of Tetraammonium dihydrogen[nitrilotris(methylene)]trisphosphonate?
The molecular weight of Tetraammonium dihydrogen[nitrilotris(methylene)]trisphosphonate is 367.17 g/mol.
What is the IUPAC name of Tetraammonium dihydrogen[nitrilotris(methylene)]trisphosphonate?
The IUPAC name of Tetraammonium dihydrogen[nitrilotris(methylene)]trisphosphonate is tetraazanium;[bis(phosphonatomethyl)amino]methylphosphonic acid.
What is the Canonical SMILES of Tetraammonium dihydrogen[nitrilotris(methylene)]trisphosphonate?
The Canonical SMILES of Tetraammonium dihydrogen[nitrilotris(methylene)]trisphosphonate is C(N(CP(=O)([O-])[O-])CP(=O)([O-])[O-])P(=O)(O)O.[NH4+].[NH4+].[NH4+].[NH4+].
What is the InChIKey of Tetraammonium dihydrogen[nitrilotris(methylene)]trisphosphonate?
The InChIKey of Tetraammonium dihydrogen[nitrilotris(methylene)]trisphosphonate is DYAGPABPDGVONC-UHFFFAOYSA-N.
How many hydrogen bond donor counts does Tetraammonium dihydrogen[nitrilotris(methylene)]trisphosphonate have?
Tetraammonium dihydrogen[nitrilotris(methylene)]trisphosphonate has 6 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does Tetraammonium dihydrogen[nitrilotris(methylene)]trisphosphonate have?
Tetraammonium dihydrogen[nitrilotris(methylene)]trisphosphonate has 10 hydrogen bond acceptor counts.
What is the heavy atom count of Tetraammonium dihydrogen[nitrilotris(methylene)]trisphosphonate?
The heavy atom count of Tetraammonium dihydrogen[nitrilotris(methylene)]trisphosphonate is 20.
Is the compound canonicalized?
Yes, the compound is canonicalized.
When was Tetraammonium dihydrogen[nitrilotris(methylene)]trisphosphonate created and last modified?
Tetraammonium dihydrogen[nitrilotris(methylene)]trisphosphonate was created on August 20, 2009, and last modified on December 30, 2023.
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