1,5-dimethyl-1H-pyrrole-2-carboximidamide hydrochloride

• ChemBase ID: 51809
• Molecular Formular: C7H12ClN3
• Molecular Mass: 173.64328
• Monoisotopic Mass: 173.07197508
• SMILES: c1(n(c(cc1)C)C)C(=N)N.Cl
• Canonical SMILES: Cn1c(ccc1C)C(=N)N.Cl
• InChI: InChI=1S/C7H11N3.ClH/c1-5-3-4-6(7(8)9)10(5)2;/h3-4H,1-2H3,(H3,8,9);1H
• InChIKey: IHKSICQKAWQZNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-dimethyl-1H-pyrrole-2-carboximidamide hydrochloride
• IUPAC Traditional name: 1,5-dimethylpyrrole-2-carboximidamide hydrochloride
• Synonyms: 1,5-Dimethyl-1H-pyrrole-2-carboximidamide hydrochloride

Database IDs

• CAS Number: 744193-07-5
• MDL Number: MFCD11052487
• PubChem SID: 162056572
• PubChem CID: 17972830

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.0986142
• LogD (pH = 7.4): -2.098007
• Log P: 0.31683692
• Molar Refractivity: 52.4132 cm^3
• Polarizability: 15.251039 Å^3
• Polar Surface Area: 54.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%