cyclobutanecarboximidamide hydrochloride

• ChemBase ID: 89166
• Molecular Formular: C5H11ClN2
• Molecular Mass: 134.60724
• Monoisotopic Mass: 134.06107604
• SMILES: NC(=N)C1CCC1.Cl
• Canonical SMILES: NC(=N)C1CCC1.Cl
• InChI: InChI=1S/C5H10N2.ClH/c6-5(7)4-2-1-3-4;/h4H,1-3H2,(H3,6,7);1H
• InChIKey: JTEUMXCIBFVEJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclobutanecarboximidamide hydrochloride
• IUPAC Traditional name: cyclobutanecarboximidamide hydrochloride
• Synonyms: Cyclobutanecarboximidamide hydrochloride; (Carbamimidoyl)cyclobutane hydrochloride; Cyclobutanecarboxamidine hydrochloride; Cyclobutanecarboxamidine hydrochloride; cyclobutanecarboximidamide hydrochloride; 盐酸环丁烷羰基脒

Database IDs

• CAS Number: 71690-89-6
• MDL Number: MFCD09757543
• PubChem SID: 162076050
• PubChem CID: 20542589

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.1515481
• LogD (pH = 7.4): -2.1510913
• Log P: 0.26390475
• Molar Refractivity: 39.0602 cm^3
• Polarizability: 11.0722275 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 160(dec.)°C; 166 - 168°C; ca 160°C dec.
• Hydrophobicity(logP): -0.311

Safety Information

• Storage Warning: Hygroscopic; Irritant/Hygroscopic
• 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: 95%