1-(3-aminopropyl)-3-methylimidazolidine-2,4,5-trione hydrochloride

• ChemBase ID: 268577
• Molecular Formular: C7H12ClN3O3
• Molecular Mass: 221.64148
• Monoisotopic Mass: 221.05671894
• SMILES: N1(C(=O)N(C(=O)C1=O)C)CCCN.Cl
• Canonical SMILES: NCCCN1C(=O)N(C(=O)C1=O)C.Cl
• InChI: InChI=1S/C7H11N3O3.ClH/c1-9-5(11)6(12)10(7(9)13)4-2-3-8;/h2-4,8H2,1H3;1H
• InChIKey: WFWCYUXVFMOQBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-aminopropyl)-3-methylimidazolidine-2,4,5-trione hydrochloride
• IUPAC Traditional name: 1-(3-aminopropyl)-3-methylimidazolidine-2,4,5-trione hydrochloride
• Synonyms: 1-(3-aminopropyl)-3-methylimidazolidine-2,4,5-trione hydrochloride

Database IDs

• MDL Number: MFCD16817414
• PubChem SID: 164324487
• PubChem CID: 50988485

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.5018406
• LogD (pH = 7.4): -3.777145
• Log P: -1.4933493
• Molar Refractivity: 44.0342 cm^3
• Polarizability: 17.047794 Å^3
• Polar Surface Area: 83.71 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.059

Product Information

• Purity: 95%