pyrrolidine-1-carboximidamide

• ChemBase ID: 262774
• Molecular Formular: C5H11N3
• Molecular Mass: 113.16094
• Monoisotopic Mass: 113.09529737
• SMILES: C(=N)(N1CCCC1)N
• Canonical SMILES: NC(=N)N1CCCC1
• InChI: InChI=1S/C5H11N3/c6-5(7)8-3-1-2-4-8/h1-4H2,(H3,6,7)
• InChIKey: PIGIRWPZTWLVLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrrolidine-1-carboximidamide
• IUPAC Traditional name: pyrrolidine-1-carboximidamide
• Synonyms: pyrrolidine-1-carboximidamide

Database IDs

• MDL Number: MFCD05663369
• PubChem SID: 164318684
• PubChem CID: 2794597

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.70691
• LogD (pH = 7.4): -2.7064862
• Log P: -0.29145607
• Molar Refractivity: 43.4691 cm^3
• Polarizability: 12.215329 Å^3
• Polar Surface Area: 53.11 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.524

Product Information

• Purity: 95%