2-(1-methylhydrazin-1-yl)-4,5-dihydro-1H-imidazole hydrobromide

• ChemBase ID: 295985
• Molecular Formular: C4H11BrN4
• Molecular Mass: 195.06094
• Monoisotopic Mass: 194.01670837
• SMILES: Br.CN(N)C1=NCCN1
• Canonical SMILES: CN(C1=NCCN1)N.Br
• InChI: InChI=1S/C4H10N4.BrH/c1-8(5)4-6-2-3-7-4;/h2-3,5H2,1H3,(H,6,7);1H
• InChIKey: FQBKCBKQDLKTTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-methylhydrazin-1-yl)-4,5-dihydro-1H-imidazole hydrobromide
• IUPAC Traditional name: 2-(1-methylhydrazin-1-yl)-4,5-dihydro-1H-imidazole hydrobromide
• Synonyms: 2-(1-Methylhydrazino)-2-imidazoline hydrobromide; 2-(1-甲基肼基 )-2-咪唑啉氢溴化物

Database IDs

• CAS Number: 55959-80-3
• MDL Number: MFCD00067859
• PubChem SID: 180681516
• PubChem CID: 13126142

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.4695027
• LogD (pH = 7.4): -3.437599
• Log P: -1.0370448
• Molar Refractivity: 32.4049 cm^3
• Polarizability: 11.813872 Å^3
• Polar Surface Area: 53.65 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 201-204°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%