pyridine-3-carboximidamide hydrochloride

• ChemBase ID: 54278
• Molecular Formular: C6H8ClN3
• Molecular Mass: 157.60082
• Monoisotopic Mass: 157.04067495
• SMILES: n1cc(ccc1)C(=N)N.Cl
• Canonical SMILES: NC(=N)c1cccnc1.Cl
• InChI: InChI=1S/C6H7N3.ClH/c7-6(8)5-2-1-3-9-4-5;/h1-4H,(H3,7,8);1H
• InChIKey: MKJPBOVLAZADQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridine-3-carboximidamide hydrochloride
• IUPAC Traditional name: pyridine-3-carboximidamide hydrochloride
• Synonyms: Nicotinamidine hydrochloride; pyridine-3-carboxamidine hydrochloride 0.5 hydrate; nicotinimidamide hydrochloride; pyridine-3-carboximidamide hydrochloride; Pyridine-3-carboximidamide hydrochloride; 3-Amidinopyridine hydrochloride; 3-Amidinopyridine hydrochloride; 3-氨基吡啶 盐酸盐

Database IDs

• CAS Number: 23255-20-1; 7356-60-7; 63265-42-9
• MDL Number: MFCD00054326
• PubChem SID: 162059041
• PubChem CID: 202042

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.7368488
• LogD (pH = 7.4): -2.5719368
• Log P: -0.32395813
• Molar Refractivity: 45.5736 cm^3
• Polarizability: 13.120177 Å^3
• Polar Surface Area: 62.76 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 187-189°C; 188 - 190°C
• Hydrophobicity(logP): -0.327

Safety Information

• Storage Warning: Hygroscopic; IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 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: 95%; 95+%; 97%
• Salt Data: HCl