2-nitroguanidine

• ChemBase ID: 128622
• Molecular Formular: CH4N4O2
• Molecular Mass: 104.06806
• Monoisotopic Mass: 104.03342539
• SMILES: NC(=N[N+](=O)[O-])N
• Canonical SMILES: NC(=N[N+](=O)[O-])N
• InChI: InChI=1S/CH4N4O2/c2-1(3)4-5(6)7/h(H4,2,3,4)
• InChIKey: IDCPFAYURAQKDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-nitroguanidine
• IUPAC Traditional name: nitroguanidine
• Synonyms: Picrite; Nitroguanidine

Database IDs

• CAS Number: 556-88-7
• PubChem SID: 162222929
• PubChem CID: 11174
• CHEBI ID: 39180
• Chemspider ID: 10701
• Wikipedia Title: Nitroguanidine

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.2165893
• LogD (pH = 7.4): -1.2165089
• Log P: -1.2165079
• Molar Refractivity: 22.3523 cm^3
• Polarizability: 7.7763343 Å^3
• Polar Surface Area: 110.22 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colorless crystalline solid
• Melting Point: 232°C
• Boiling Point: 250 °C (decomp.)

Safety Information

• EU Index: Not listed
• Main Hazard: Explosive
• RE Factor: 1.00