Basic information
- CAS
13547-17-6- Standard SMILES
NC(=O)NCNC(N)=O- InChIKey
KQVLODRFGIKJHZ-UHFFFAOYSA-N- Molecular formula
- C3H8N4O2
- Average molar mass
- 132.12 g/mol
- Monoisotopic mass
- 132.06472551
Overview
Methylenediurea is a member of ureas.
Names & identifiers
- Preferred name
- Methylenediurea
- IUPAC
- (carbamoylamino)methylurea
- English name
- N,N''-methylenebis(urea)
- Molecular formula
- C3H8N4O2
- Molecular weight
- 132.12
Names & synonyms
Methylenediurea1,1'-METHYLENEDIUREAUrea, N,N''-methylenebis-N,N''-Methylenebis(urea)DiureidomethanemethylenebisureaN,N''-methylenediureaN,N''-methanediyldiureaUNII-TT2013TAE91,1'-METHYLENEBISUREATT2013TAE91-[(carbamoylamino)methyl]urea
Show more names
Felbinac Impurity 18N'-methanediyldiureaHydroxy Urea Impurity 2 (Methylenediurea)
NH2-CO-NH-CH2-NH-CO-NH2EINECS 236-918-5NSC-36621AI3-50996DTXSID6042155METHYLENEDIUREA [USP-RS]CHEBI:10790UREA, 1,1'-METHYLENEDI-
Database identifiers
- CAS
13547-17-6- PubChem CID
- 61645
- DTXSID
DTXSID6042155- ChEBI
CHEBI:10790- UNII
- TT2013TAE9
- EC Number
- 236-918-5
- Nikkaji
- J639D
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 109
Physicochemical properties
- Melting point
- 203 °C · 203 °C
- Boiling point
- 298.3 · 298.3±36.0 °C(Predicted)
- Density
- 1.358 · 1.358±0.06 g/cm3(Predicted)
- storage temp.
- Room Temperature, under inert atmosphere
- solubility
- DMSO (Slightly, Sonicated), Water (Slightly, Heated)
- form
- Solid
- pka
- 12.63 · 12.63±0.46(Predicted)
- color
- White to Off-White
- FDA UNII
- 2013 TAE9 · TT2013TAE9
- EPA Substance Registry System
- Methylenediurea (13547-17-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
- HS Code
- 2924190002 · 2924190002
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 47.7% (104 of 218) of reports.
Warning
H315 (33.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 218 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (33.5%)
Safety data
- hs_code
- 2924190002
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers14 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
成都添福瑞生物科技有限公司18030648795 18030648795 · [email protected]
湖北恩星生物科技有限公司16621771607 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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