(diaminomethyl)diazene

• ChemBase ID: 128985
• Molecular Formular: CH6N4
• Molecular Mass: 74.08514
• Monoisotopic Mass: 74.05924621
• SMILES: NC(N)N=N
• Canonical SMILES: NC(N=N)N
• InChI: InChI=1S/CH6N4/c2-1(3)5-4/h1,4H,2-3H2
• InChIKey: DRCHNMARIZRTKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (diaminomethyl)diazene
• IUPAC Traditional name: (diaminomethyl)diazene
• Synonyms: Aminoguanidine; Guanyl hydrazine; Hydrazinecarboximidamide; Imino semicarbazide; Monoaminoguanidine; Pimagedine

Database IDs

• CAS Number: 79-17-4
• PubChem SID: 162223287
• PubChem CID: 2146; 71308258
• CHEMBL: 225304
• Chemspider ID: 2061
• Unique Ingredient Identifier: SCQ4EZQ113
• Wikipedia Title: Pimagedine

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.935961
• LogD (pH = 7.4): -0.9097023
• Log P: -0.9093571
• Molar Refractivity: 17.0998 cm^3
• Polarizability: 7.3479185 Å^3
• Polar Surface Area: 88.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 261°C
• Density: 1.72 g/ml
• Partition Coefficient: -1.475