N'-aminoethanimidamide hydrochloride

• ChemBase ID: 274818
• Molecular Formular: C2H8ClN3
• Molecular Mass: 109.55802
• Monoisotopic Mass: 109.04067495
• SMILES: C(=N\N)(\N)/C.Cl
• Canonical SMILES: N/N=C(\N)/C.Cl
• InChI: InChI=1S/C2H7N3.ClH/c1-2(3)5-4;/h4H2,1H3,(H2,3,5);1H
• InChIKey: BDJHVZSZVZKIRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-aminoethanimidamide hydrochloride
• IUPAC Traditional name: N'-aminoethanimidamide hydrochloride
• Synonyms: N'-aminoethanimidamide hydrochloride

Database IDs

• MDL Number: MFCD01746339
• PubChem SID: 164330728
• PubChem CID: 12239607

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.6675436
• LogD (pH = 7.4): -3.396116
• Log P: -1.2569358
• Molar Refractivity: 21.1292 cm^3
• Polarizability: 7.7123523 Å^3
• Polar Surface Area: 64.4 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119 - 121°C
• Hydrophobicity(logP): -0.808

Product Information

• Purity: 95%