hydroxylamine

• ChemBase ID: 127753
• Molecular Formular: H3NO
• Molecular Mass: 33.02992
• Monoisotopic Mass: 33.02146372
• SMILES: NO
• Canonical SMILES: NO
• InChI: InChI=1S/H3NO/c1-2/h2H,1H2
• InChIKey: AVXURJPOCDRRFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hydroxylamine
• IUPAC Systematic name: Hydroxylamine
• IUPAC Traditional name: hydroxylamine; primary amine
• Synonyms: HDA; Hydroxylamine solution; Aminol; Azanol; Hydroxyamine; Hydroxyazane; Hydroxylazane; Nitrinous acid; Hydroxylamine; Hydroxylamine; 羟胺 溶液; 羟胺

Database IDs

• CAS Number: 7803-49-8
• EC Number: 232-259-2
• MDL Number: MFCD00044522
• Beilstein Number: 1098214
• Merck Index: 144828
• PubChem SID: 24870439; 24867438; 162222071
• PubChem CID: 787
• CHEBI ID: 15429
• CHEMBL: 1191361
• Chemspider ID: 766
• Gmelin ID: 478
• KEGG ID: C00192
• MeSH Name: Hydroxylamine
• Unique Ingredient Identifier: 2FP81O2L9Z
• Wikipedia Title: Hydroxylamine

CALCULATED PROPERTIES

• Acid pKa: 17.64608
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.7521895
• LogD (pH = 7.4): -0.7406456
• Log P: -0.7404964
• Molar Refractivity: 7.8487 cm^3
• Polarizability: 2.923362 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Vivid white, opaque crystals
• Melting Point: 33°C; 7°C
• Boiling Point: >100 °C; 107 °C; 107-114°C; 58°C (decomposes)
• Flash Point: 129 °C; None
• Auto Ignition Point: 265 °C
• Density: 1.078 g/mL at 25 °C; 1.120; 1.21 g cm^-3 (at 20 °C)
• Refractive Index: 1.3940
• Vapor Pressure: 9 mmHg ( 40 °C)
• Partition Coefficient: -0.758
• pKa: 13.7
• pKb: 0.3
• Heat Capacity: 46.47 J K^-1 mol^-1
• Std enthalpy of formation: -39.9 kJ mol^-1
• Std molar entropy: 236.18 J K^-1 mol^-1

Safety Information

• RTECS: NC2975000
• European Hazard Symbols: Nature polluting (N); X; Irritant (Xi); Harmful (Xn)
• UN Number: 3082; UN3266
• German water hazard class: 3
• Hazard Class: 8; 9
• Packing Group: 3; III
• Risk Statements: 22-37/38-40-41-43-48/20/21/22-50; 5-21/22-37/38-40-41-43-48/22-50; R2, R21/22, R37/38, R40, R41, R43, R48/22, R50
• Safety Statements: 23-26-36/37/39-57; 26-36/37/39-46-61; S2, S26, S36/37/39, S61
• TSCA Listed: 是
• EU Index: 612-122-00-7
• GHS Pictograms: GHS05; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• NFPA704:
  

  1

  2

  3
• LD50: 408 mg/kg (oral, mouse); 59–70 mg/kg (intraperitoneal mouse, rat); 29 mg/kg (subcutaneous, rat)
• GHS Hazard statements: H290-H302 + H312-H315-H317-H318-H335-H351-H373-H400; H290-H302-H312-H315-H317-H318-H335-H351-H373-H400; H318-H315-H351-H373-H400-H302-H317-H335-H313
• GHS Precautionary statements: P260-P305+P351+P338-P302+P352-P321-P405-P501A; P261-P273-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3082 9/PG 3

Product Information

• Purity: 50% aq. soln.; 99.999%
• Concentration: 50 wt. % in H2O
• Linear Formula: NH2OH

DETAILS

Sigma Aldrich - 438227

Packaging
50, 250 mL in poly bottle
Application
Reactant for preparation of:
• Prodrug for cardiovascular agent Nω-hydroxy-L-arginine (NOHA, nitric oxide precursor)1
• Hydroxyaminoguanidines as anti-cancer agents2
• Nonsteroidal 2,3-dihydroquinoline glucocorticoid receptor agonists with reduced phosphoenolpyruvate caboxykinase (PEPCK) transactivation3
• Carboxamide derivatives of ofloxacin with improved antimicrobial properties4
• Analogues of coumarin based TNF-α converting enzyme (TACE) inhibitors5
• HIV integrase inhibitors6

Sigma Aldrich - 467804

Packaging
10, 50 mL in poly bottle
Application
Reactant for preparation of:
• Prodrug for cardiovascular agent Nω-hydroxy-L-arginine (NOHA, nitric oxide precursor)1
• Hydroxyaminoguanidines as anti-cancer agents2
• Nonsteroidal 2,3-dihydroquinoline glucocorticoid receptor agonists with reduced phosphoenolpyruvate caboxykinase (PEPCK) transactivation3
• Carboxamide derivatives of ofloxacin with improved antimicrobial properties4
• Analogues of coumarin based TNF-α converting enzyme (TACE) inhibitors5
• HIV integrase inhibitors6