1-[1,3-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea

• ChemBase ID: 126951
• Molecular Formular: C8H14N4O7
• Molecular Mass: 278.21936
• Monoisotopic Mass: 278.08624881
• SMILES: O=C1N(C(=O)C(N(C(=O)NCO)CO)N1CO)CO
• Canonical SMILES: OCNC(=O)N(C1C(=O)N(C(=O)N1CO)CO)CO
• InChI: InChI=1S/C8H14N4O7/c13-1-9-7(18)10(2-14)5-6(17)12(4-16)8(19)11(5)3-15/h5,13-16H,1-4H2,(H,9,18)
• InChIKey: SOROIESOUPGGFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1,3-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea
• IUPAC Traditional name: diazolidinyl urea
• Synonyms: Diazolidinylurea; Germall II; Diazolidinyl urea; Diazolidinyl urea; n-(1,3-bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl)-n,n'-bis(hydroxymethyl)-urea; 1-(1,3-Bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl)-1,3-bis(hydroxymethyl)urea; 重氮烷基脲

Database IDs

• CAS Number: 78491-02-8
• EC Number: 278-928-2
• MDL Number: MFCD03547942
• PubChem SID: 24893927; 162221277
• PubChem CID: 62277
• Chemspider ID: 56078
• Unique Ingredient Identifier: H5RIZ3MPW4
• Wikipedia Title: Diazolidinyl_urea

CALCULATED PROPERTIES

• Acid pKa: 12.575115
• H Acceptors: 7
• H Donor: 5
• LogD (pH = 5.5): -3.785841
• LogD (pH = 7.4): -3.7858436
• Log P: -3.785841
• Molar Refractivity: 56.0165 cm^3
• Polarizability: 22.532265 Å^3
• Polar Surface Area: 153.88 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: YS2717000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 43
• Safety Statements: 36/37
• EU Index: not listed
• GHS Pictograms: : Skin Sens. 1; GHS07
• GHS Signal Word: WARNING; Warning
• GHS Hazard statements: 317; H317
• GHS Precautionary statements: 261, 272, 280, 302+352, 333+313, 321, 363, 501; P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥95%; 95+%; 97%

DETAILS

Sigma Aldrich - D5146

包装
25, 250 g in poly bottle