furan-2-carboximidamide hydrochloride

• ChemBase ID: 37131
• Molecular Formular: C5H7ClN2O
• Molecular Mass: 146.57488
• Monoisotopic Mass: 146.02469053
• SMILES: c1(C(=N)N)occc1.Cl
• Canonical SMILES: NC(=N)c1ccco1.Cl
• InChI: InChI=1S/C5H6N2O.ClH/c6-5(7)4-2-1-3-8-4;/h1-3H,(H3,6,7);1H
• InChIKey: BTQGDMLCRXCBGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: furan-2-carboximidamide hydrochloride
• IUPAC Traditional name: 2-furoic acid hydrazide hydrochloride
• Synonyms: 2-Furancarboximidamide hydrochloride; Furan-2-carboximidamide hydrochloride

Database IDs

• MDL Number: MFCD06809595
• PubChem SID: 161000438
• PubChem CID: 12231049

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.7170031
• LogD (pH = 7.4): -0.276444
• Log P: -0.046039067
• Molar Refractivity: 40.1214 cm^3
• Polarizability: 10.911751 Å^3
• Polar Surface Area: 63.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 63 - 65°C
• Hydrophobicity(logP): -0.179

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C5H7ClN2O

DETAILS

Sigma Aldrich - CBR00909

Other Notes
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Legal Information
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