Back to Search
Molecule
Hexanediaminetetra(Methylenephosphonic Acid)
CAS: 23605-74-5 · C10H28N2O12P4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 23605-74-5
- Molecular Formula
- C10H28N2O12P4
- Molecular Mass
- 492.23 g/mol
Identifiers
CAS Registry Number
23605-74-5
SMILES
O=P(O)(O)CN(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O
InChI Key
KIDJHPQACZGFTI-UHFFFAOYSA-N
InChI
InChI=1S/C10H28N2O12P4/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)
Names and Synonyms
- Hexanediaminetetra(Methylenephosphonic Acid) Synonym
- Phosphonic acid, P,P′,P′′,P′′′-[1,6-hexanediylbis[nitrilobis(methylene)]]tetrakis- Synonym
- Hexamethylenedinitrilotetrakis(methylphosphonic acid) Synonym
- HDTMPA Synonym
- Phosphonic acid, [hexamethylenebis(nitrilodimethylene)]tetra- Synonym
- Phosphonic acid, [1,6-hexanediylbis[nitrilobis(methylene)]]tetrakis- Synonym
- P,P′,P′′,P′′′-[1,6-Hexanediylbis[nitrilobis(methylene)]]tetrakis[phosphonic acid] Synonym
- N,N,N′,N′-Hexamethylenediaminetetra(methylenephosphonic acid) Synonym
- (Hexamethylenedinitrilo)tetrakis[methylenephosphonic acid] Synonym
- 1,6-Hexanediaminetetrakis(methylene phosphonic acid) Synonym
- Dequest 2051 Synonym
- HDTMP Synonym
- N,N,N′,N′-1,6-Hexamethylenediaminetetrakis(methylenephosphonic acid) Synonym
- Briquest 462 Synonym
- Hexanediaminetetra(methylenephosphonic acid) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 492.23 g/mol | CAS Common Chemistry |
| 492.2320000000001 g/mol | RDKit | |
| 492.232 g/mol | RDKit | |
| Canonical SMILES | O=P(O)(O)CN(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/C10H28N2O12P4/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24) | CAS Common Chemistry |
| InChI Key | InChIKey=KIDJHPQACZGFTI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 242 °C | CAS Common Chemistry |
| Name | Hexanediaminetetra(methylenephosphonic acid) | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 8 | RDKit |
| Rotatable Bonds | 15 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 236.59999999999997 Ų | RDKit |
| 236.6 Ų | RDKit | |
| LogP | -0.30840000000000045 | RDKit |
| -0.3084 | RDKit | |
| Molar Refractivity | 99.52440000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 492.05927085599984 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 492.23 g/mol. Edit any field — others recompute live.
