2-aminoethanimidamide

• ChemBase ID: 159790
• Molecular Formular: C2H7N3
• Molecular Mass: 73.09708
• Monoisotopic Mass: 73.06399724
• SMILES: NC(=N)CN
• Canonical SMILES: NCC(=N)N
• InChI: InChI=1S/C2H7N3/c3-1-2(4)5/h1,3H2,(H3,4,5)
• InChIKey: SVFHHGXDLUSTKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminoethanimidamide
• IUPAC Traditional name: 2-aminoethanimidamide
• Synonyms: 2-Amino-ethanimidamide Dihydrobromide; 2-Aminoacetamidine Dihydrobromide

Database IDs

• CAS Number: 69816-37-1
• PubChem SID: 162253925
• PubChem CID: 4152891

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -4.6556597
• LogD (pH = 7.4): -4.298371
• 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

Physical Property

• Solubility: DMSO; Water
• Apperance: Pale Yellow Solid
• Melting Point: >223°C dec.

Safety Information

• Storage Condition: -20°C Freezer

DETAILS

Toronto Research Chemicals - A580000

A functionally selective and potent muscarinic M1 receptor partial agonist.

REFERENCES

• Showell, G., et al.: Med. Chem. Res., 3, 171 (1993)
• Lagoja, I., et al.: Chem. Biodivers., 4, 818 (1993)