adamantane-1-carboximidamide hydrochloride

• ChemBase ID: 10523
• Molecular Formular: C11H19ClN2
• Molecular Mass: 214.73496
• Monoisotopic Mass: 214.1236763
• SMILES: Cl.C12CC3CC(C1)(CC(C2)C3)C(=N)N
• Canonical SMILES: NC(=N)C12CC3CC(C2)CC(C1)C3.Cl
• InChI: InChI=1S/C11H18N2.ClH/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;/h7-9H,1-6H2,(H3,12,13);1H
• InChIKey: OJNFQKIOKKMCIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: adamantane-1-carboximidamide hydrochloride
• IUPAC Traditional name: adamantane-1-carboximidamide hydrochloride
• Synonyms: adamantane-1-carboximidamide hydrochloride; Adamantane-1-carboxamidine hydrochloride

Database IDs

• CAS Number: 50417-14-6
• MDL Number: MFCD00167793
• PubChem SID: 160973830
• PubChem CID: 2726502

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.7727896
• LogD (pH = 7.4): -0.77221256
• Log P: 1.6426618
• Molar Refractivity: 62.8046 cm^3
• Polarizability: 20.666939 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 225°C; 255°C
• Hydrophobicity(logP): 1.435

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%