CAS
94021-25-7 Purity
96%
94021-25-7 Purity
96%
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Hexaammonium[nitrilotris(methylene)]trisphosphonate
CAS
94021-28-0
Catalog Number
ACM94021280
Category
Other Products
Molecular Weight
401.233083 [g/mol]
Molecular Formula
C3H30N7O9P3
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Specification
Synonyms
6419-19-8 (Parent), EINECS 301-422-0, Hexaammonium (nitrilotris(methylene))trisphosphonate, 94021-28-0
IUPAC Name
hexaazanium 1-phosphonato-N,N-bis(phosphonatomethyl)methanamine
SMILES
C(N(CP(=O)([O-])[O-])CP(=O)([O-])[O-])P(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]
InChI Key
FUYQFCQZVFXZBQ-UHFFFAOYSA-N
EC Number
251-908-0
H-Bond Acceptor
10
H-Bond Donor
6
What is the molecular formula of Hexaammonium[nitrilotris(methylene)]trisphosphonate?
The molecular formula of Hexaammonium[nitrilotris(methylene)]trisphosphonate is C3H30N7O9P3.
What is the molecular weight of Hexaammonium[nitrilotris(methylene)]trisphosphonate?
The molecular weight of Hexaammonium[nitrilotris(methylene)]trisphosphonate is 401.23 g/mol.
What is the IUPAC name of Hexaammonium[nitrilotris(methylene)]trisphosphonate?
The IUPAC name of Hexaammonium[nitrilotris(methylene)]trisphosphonate is hexaazanium;1-phosphonato-N,N-bis(phosphonatomethyl)methanamine.
What is the InChIKey of Hexaammonium[nitrilotris(methylene)]trisphosphonate?
The InChIKey of Hexaammonium[nitrilotris(methylene)]trisphosphonate is FUYQFCQZVFXZBQ-UHFFFAOYSA-N.
What is the canonical SMILES representation of Hexaammonium[nitrilotris(methylene)]trisphosphonate?
The canonical SMILES representation of Hexaammonium[nitrilotris(methylene)]trisphosphonate is C(N(CP(=O)([O-])[O-])CP(=O)([O-])[O-])P(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].
What is the CAS number of Hexaammonium[nitrilotris(methylene)]trisphosphonate?
The CAS number of Hexaammonium[nitrilotris(methylene)]trisphosphonate is 94021-28-0.
How many hydrogen bond donor counts are there in Hexaammonium[nitrilotris(methylene)]trisphosphonate?
There are 6 hydrogen bond donor counts in Hexaammonium[nitrilotris(methylene)]trisphosphonate.
How many hydrogen bond acceptor counts are there in Hexaammonium[nitrilotris(methylene)]trisphosphonate?
There are 10 hydrogen bond acceptor counts in Hexaammonium[nitrilotris(methylene)]trisphosphonate.
What is the topological polar surface area of Hexaammonium[nitrilotris(methylene)]trisphosphonate?
The topological polar surface area of Hexaammonium[nitrilotris(methylene)]trisphosphonate is 199?2.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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