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Molecule
Hydroxylammonium Sulfate
CAS: 10039-54-0 · H5NO5S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10039-54-0
- Molecular Formula
- H5NO5S
- Molecular Mass
- 131.11 g/mol
Identifiers
CAS Registry Number
10039-54-0
SMILES
NO.O=S(=O)(O)O
InChI Key
NXPHCVPFHOVZBC-UHFFFAOYSA-N
InChI
InChI=1S/H3NO.H2O4S/c1-2;1-5(2,3)4/h2H,1H2;(H2,1,2,3,4)
Names and Synonyms
- Hydroxylammonium Sulfate Common Name
- Hydroxylamine, sulfate (2:1) Synonym
- Hydroxylamine, sulfate (2:1) (salt) Synonym
- Hydroxylamine, sulfate Synonym
- Oxammonium sulfate Synonym
- Hydroxylammonium sulfate Synonym
- Bis(hydroxylamine) sulfate Synonym
- Hydroxyl ammonium sulfate ((HONH3)2SO4) Synonym
- Hydroxylamine neutral sulfate Synonym
- Di(hydroxylamine) sulfate Synonym
- Lanasane LAB Synonym
- Envision MLB 2030 Synonym
- Bis(hydroxylammonium) sulfate Synonym
- Reduction Solution Securiganth P Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 131.11 g/mol | CAS Common Chemistry |
| 131.109 g/mol | RDKit | |
| 131.102 g/mol | chempirical lib | |
| Density | 1.88 g/cm³ | CAS Common Chemistry |
| 1.88 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Hydroxylammonium_sulfate | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(O)O.ON | CAS Common Chemistry |
| InChI | InChI=1S/H3NO.H2O4S/c1-2;1-5(2,3)4/h2H,1H2;(H2,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=NXPHCVPFHOVZBC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 120 °C (decomp) | CAS Common Chemistry |
| Name | Hydroxylamine, sulfate | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 120.85000000000001 Ų | RDKit |
| 120.85 Ų | RDKit | |
| LogP | -1.3184999999999998 | RDKit |
| -1.3185 | RDKit | |
| Molar Refractivity | 20.151300000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 130.98884326 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
100
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 131.11 g/mol; density = 1.880 g/mL. Edit any field — others recompute live.
