1-amino-3-methylimidazolidin-2-one

• ChemBase ID: 247055
• Molecular Formular: C4H9N3O
• Molecular Mass: 115.13376
• Monoisotopic Mass: 115.07456192
• SMILES: C1(=O)N(CCN1C)N
• Canonical SMILES: CN1CCN(C1=O)N
• InChI: InChI=1S/C4H9N3O/c1-6-2-3-7(5)4(6)8/h2-3,5H2,1H3
• InChIKey: MLPBXSHWSFSVTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-3-methylimidazolidin-2-one
• IUPAC Traditional name: 1-amino-3-methylimidazolidin-2-one
• Synonyms: 1-amino-3-methylimidazolidin-2-one

Database IDs

• PubChem SID: 164302965
• PubChem CID: 20500917

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.16632
• LogD (pH = 7.4): -1.1608762
• Log P: -1.1608063
• Molar Refractivity: 30.3478 cm^3
• Polarizability: 11.19365 Å^3
• Polar Surface Area: 49.57 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.041

Product Information

• Purity: 95%