Diazolidinyl urea - CAS 78491-02-8
Catalog: |
BB036178 |
Product Name: |
Diazolidinyl urea |
CAS: |
78491-02-8 |
Synonyms: |
1-[1,3-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea |
IUPAC Name: | 1-[1,3-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea |
Description: | Diazolidinyl urea is an antimicrobial preservative used in cosmetics. |
Molecular Weight: | 278.22 |
Molecular Formula: | C8H14N4O7 |
Canonical SMILES: | C(NC(=O)N(CO)C1C(=O)N(C(=O)N1CO)CO)O |
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) |
InChI Key: | SOROIESOUPGGFO-UHFFFAOYSA-N |
Purity: | 98% |
Density: | 1.83 g/cm3 |
Appearance: | White powder |
Storage: | 2-8°C |
MDL: | MFCD03547942 |
LogP: | -3.34580 |
Refractive Index: | 1.587 |
Stability: | Stable. Incompatible with strong oxidizing agents. |
GHS Hazard Statement: | H317 (51.13%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P264, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P313, P363, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
23340394 | 20130101 | North American Contact Dermatitis Group patch test results for 2007-2008 | Dermatitis : contact, atopic, occupational, drug |
22564140 | 20121101 | Characterization of the decomposition of compounds derived from imidazolidinyl urea in cosmetics and patch test materials | Contact dermatitis |
21963222 | 20120401 | [Contact sensitization to allergens in the Spanish standard series at Hospital Costa del Sol in Marbella, Spain: a retrospective study (2005-2010)] | Actas dermo-sifiliograficas |
21596455 | 20120201 | Positive patch test reactions in older individuals: retrospective analysis from the North American Contact Dermatitis Group, 1994-2008 | Journal of the American Academy of Dermatology |
22699123 | 20120101 | Formalehyde in personal care products | Skin pharmacology and physiology |
Complexity: | 376 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 278.08624880 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 5 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 278.08624880 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 154 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -2.5 |
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