(E)-N'-methyl-1H-pyrazole-1-carboximidamide hydrochloride

• ChemBase ID: 296618
• Molecular Formular: C5H9ClN4
• Molecular Mass: 160.60476
• Monoisotopic Mass: 160.05157399
• SMILES: C/N=C(\N)/n1cccn1.Cl
• Canonical SMILES: C/N=C(/n1cccn1)\N.Cl
• InChI: InChI=1S/C5H8N4.ClH/c1-7-5(6)9-4-2-3-8-9;/h2-4H,1H3,(H2,6,7);1H
• InChIKey: SYSWHVMZAHBYJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N'-methyl-1H-pyrazole-1-carboximidamide hydrochloride
• IUPAC Traditional name: (E)-N'-methylpyrazole-1-carboximidamide hydrochloride
• Synonyms: 1H-Pyrazole-1-(N-methylcarboxamidine) hydrochloride; 1H-吡唑-1-(N-甲基羰基脒) 盐酸盐

Database IDs

• CAS Number: 194852-88-5
• MDL Number: MFCD11114408
• PubChem SID: 180682149
• PubChem CID: 73995114

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.7985153
• LogD (pH = 7.4): -2.65302
• Log P: -0.38526905
• Molar Refractivity: 45.3832 cm^3
• Polarizability: 12.692244 Å^3
• Polar Surface Area: 56.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 156-159°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: 96%