diamine hydrate hydrochloride

• ChemBase ID: 158743
• Molecular Formular: ClN2O
• Molecular Mass: 79.4658
• Monoisotopic Mass: 78.96991531
• SMILES: N.N.O.Cl
• Canonical SMILES: N.N.O.Cl
• InChI: InChI=1S/ClH.2H3N.H2O/h1H;2*1H3;1H2
• InChIKey: XEXFVRMLYUDDJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diamine hydrate hydrochloride
• IUPAC Traditional name: diamine hydrate hydrochloride
• Synonyms: Ammonium chloride-ammonium hydroxide buffer solution; 氯化铵-氢氧化铵缓冲液 溶液

Database IDs

• MDL Number: MFCD00134124
• PubChem SID: 162252879
• PubChem CID: 71312677

CALCULATED PROPERTIES

• Log P: -0.978
• Molar Refractivity: 15.5149 cm^3
• Polarizability: 2.2600515 Å^3
• Polar Surface Area: 13.59 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -3.7525723
• LogD (pH = 7.4): -2.4393091

PROPERTIES

Physical Property

• Density: 0.99 g/mL at 25 °C
• pH: 10-11

Safety Information

• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 38-41-50
• Safety Statements: 26-39-61
• GHS Pictograms: GHS05; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H318-H400
• GHS Precautionary statements: P273-P280-P305 + P351 + P338

Product Information

• Concentration: in H2O
• Compostion: NH4Cl, 1 wt. %; NH4OH, 4 wt. % (pH 10 to 11)

DETAILS

Sigma Aldrich - 318604

Packaging
2 L in poly bottle
500 mL in poly bottle