cyano(sodio)amine

• ChemBase ID: 144996
• Molecular Formular: CHN2Na
• Molecular Mass: 64.02181
• Monoisotopic Mass: 64.00374232
• SMILES: C(#N)N[Na]
• Canonical SMILES: [Na]NC#N
• InChI: InChI=1S/CHN2.Na/c2-1-3;/h2H;/q-1;+1
• InChIKey: MBEGFNBBAVRKLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyano(sodio)amine
• IUPAC Traditional name: cyanamide, monosodium salt
• Synonyms: Cyanamide monosodium salt; mono-Sodium cyanamide; Sodium hydrogencyanamide; 氰胺 单钠盐; 氰胺一钠; 氰胺一钠

Database IDs

• CAS Number: 17292-62-5
• EC Number: 241-322-3
• MDL Number: MFCD00066500
• Beilstein Number: 3624175
• PubChem SID: 24873002; 162239206
• PubChem CID: 4293993

CALCULATED PROPERTIES

• Acid pKa: 10.5280905
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6227
• LogD (pH = 7.4): -1.6227
• Log P: -1.6227
• Molar Refractivity: 20.5705 cm^3
• Polarizability: 5.270368 Å^3
• Polar Surface Area: 35.82 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder
• Melting Point: >360 °C(lit.)

Safety Information

• RTECS: GS6481050
• European Hazard Symbols: Harmful (Xn)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 22
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H317
• GHS Precautionary statements: P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 98%
• Linear Formula: NCNHNa

DETAILS

Sigma Aldrich - 495905

Packaging
5, 25 g in glass bottle