pyridine-2-carboximidamide hydrochloride

• ChemBase ID: 17420
• Molecular Formular: C6H8ClN3
• Molecular Mass: 157.60082
• Monoisotopic Mass: 157.04067495
• SMILES: c1(ccccn1)C(=N)N.Cl
• Canonical SMILES: NC(=N)c1ccccn1.Cl
• InChI: InChI=1S/C6H7N3.ClH/c7-6(8)5-3-1-2-4-9-5;/h1-4H,(H3,7,8);1H
• InChIKey: GMHCEDDZKAYPLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridine-2-carboximidamide hydrochloride
• IUPAC Traditional name: pyridine-2-carboximidamide hydrochloride
• Synonyms: Pyridine-2-carboxamidine hydrochloride; 2-Amidinopyridine hydrochloride; pyridine-2-carboximidamide hydrochloride; Pyridine-2-carboximidamide hydrochloride; 2-Amidinopyridine hydrochloride; Picolinimidamide hydrochloride; 2-脒基吡啶盐酸盐

Database IDs

• CAS Number: 51285-26-8
• MDL Number: MFCD00052271
• Beilstein Number: 3562671
• PubChem SID: 160980727
• PubChem CID: 12403615

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.2996583
• LogD (pH = 7.4): -1.3085152
• Log P: 0.06189219
• Molar Refractivity: 45.2016 cm^3
• Polarizability: 13.12347 Å^3
• Polar Surface Area: 62.76 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 145 - 147°C; 148-152°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%