propanimidamide hydrochloride

• ChemBase ID: 263416
• Molecular Formular: C3H9ClN2
• Molecular Mass: 108.56996
• Monoisotopic Mass: 108.04542598
• SMILES: C(=N)(N)CC.Cl
• Canonical SMILES: CCC(=N)N.Cl
• InChI: InChI=1S/C3H8N2.ClH/c1-2-3(4)5;/h2H2,1H3,(H3,4,5);1H
• InChIKey: DFWRZHZPJJAJMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propanimidamide hydrochloride
• IUPAC Traditional name: propamidine hydrochloride
• Synonyms: propanimidamide hydrochloride; Propionamidine hydrochloride; PropioniMidaMide hydrochloride; Propioamidine hydrochloride

Database IDs

• CAS Number: 39800-84-5; 3599-89-1
• MDL Number: MFCD00233938
• PubChem SID: 164319326
• PubChem CID: 12301253

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.675379
• LogD (pH = 7.4): -2.675066
• Log P: -0.2599243
• Molar Refractivity: 31.6869 cm^3
• Polarizability: 8.11801 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.695

Product Information

• Purity: 95%; 95+%; 97%