2-aminoethanimidamide hydrobromide

• ChemBase ID: 800421
• Molecular Formular: C2H8BrN3
• Molecular Mass: 154.00902
• Monoisotopic Mass: 152.99015927
• SMILES: Br.C(C(=N)N)N
• Canonical SMILES: NCC(=N)N.Br
• InChI: InChI=1S/C2H7N3.BrH/c3-1-2(4)5;/h1,3H2,(H3,4,5);1H
• InChIKey: CVJBACMWXLPWDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminoethanimidamide hydrobromide
• IUPAC Traditional name: 2-aminoethanimidamide hydrobromide
• Synonyms: 2-aminoacetimidamide hydrobromide

Database IDs

• CAS Number: 69816-37-1

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -5.431842
• LogD (pH = 7.4): -4.356087
• Log P: -1.88459
• Molar Refractivity: 30.4197 cm^3
• Polarizability: 7.809257 Å^3
• Polar Surface Area: 75.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%