2-phenylethanimidamide hydrochloride

• ChemBase ID: 123579
• Molecular Formular: C8H11ClN2
• Molecular Mass: 170.63934
• Monoisotopic Mass: 170.06107604
• SMILES: C(=N)(Cc1ccccc1)N.Cl
• Canonical SMILES: NC(=N)Cc1ccccc1.Cl
• InChI: InChI=1S/C8H10N2.ClH/c9-8(10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H3,9,10);1H
• InChIKey: UBSBLGBWNYUPDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylethanimidamide hydrochloride
• IUPAC Traditional name: 2-phenylethanimidamide hydrochloride
• Synonyms: 2-phenylacetimidamide hydrochloride; 2-phenylethanimidamide hydrochloride

Database IDs

• CAS Number: 2498-46-6
• MDL Number: MFCD06761717
• PubChem SID: 162217932
• PubChem CID: 12415514

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.5415604
• LogD (pH = 7.4): -1.5400939
• Log P: 0.8738797
• Molar Refractivity: 51.7819 cm^3
• Polarizability: 15.88587 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 145 - 147°C
• Hydrophobicity(logP): 0.504

Product Information

• Purity: 95%; 98%
• Salt Data: HCl