Urea, N-(hexahydro-6-methyl-2-oxo-4-pyrimidinyl)-
Basic information
- CAS
1129-42-6- Standard SMILES
CC1CC(NC(N)=O)NC(=O)N1- InChIKey
CZAUMIGWDFREBR-UHFFFAOYSA-N- Molecular formula
- C6H12N4O2
- Average molar mass
- 172.19 g/mol
- Monoisotopic mass
- 172.09602564
Names & identifiers
- Preferred name
- Urea, N-(hexahydro-6-methyl-2-oxo-4-pyrimidinyl)-
- IUPAC
- (6-methyl-2-oxo-1,3-diazinan-4-yl)urea
- English name
- 6-methyl-2-oxoperhydropyrimidin-4-ylurea
- Molecular formula
- C6H12N4O2
- Molecular weight
- 172.19
Names & synonyms
NSC 134036-Methyl-2-oxoperhydropyrimidin-4-ylurea(Hexahydro-6-methyl-2-oxo-4-pyrimidinyl)ureaEINECS 214-447-6NSC 138171EC 214-447-6Urea, N-(hexahydro-6-methyl-2-oxo-4-pyrimidinyl)-RefChem:901317214-447-61129-42-61-(6-methyl-2-oxohexahydropyrimidin-4-yl)ureaUrea, (hexahydro-6-methyl-2-oxo-4-pyrimidinyl)-
Show more names
(hexahydro-6-methyl-2-oxo-4-pyrimidinyl)-Urea
(6-methyl-2-oxo-1,3-diazinan-4-yl)urea(6-Methyl-2-oxo-hexahydro-pyrimidin-4-yl)-ureacrotonylidene diureaSCHEMBL2895352DTXSID00883658NSC13403NSC-13403NSC138171
Database identifiers
- CAS
1129-42-6- PubChem CID
- 95479
- DTXSID
DTXSID00883658- EC Number
- 214-447-6
- Nikkaji
- J563K
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Melting point
- 250 °C · 250 °C (decomp)
- Boiling point
- 454.3 · 454.3±45.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 13.19 · 13.19±0.40(Predicted)
- Water Solubility
- 5.065 g/L · 5.065g/L at 20℃
- LogP
- -1.34 at · -1.34 at 20℃
- EPA Substance Registry System
- (Hexahydro-6-methyl-2-oxo-4-pyrimidinyl)urea (1129-42-6)
- TSCA
- TSCA listed
- REACH Registrations
- Active
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 100% (108 of 108) of all reports.
Not Classified
Aggregated GHS information provided per 108 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 6-methyl-2-oxoperhydropyrimidin-4-ylurea (EC: 214-447-6)
(Hexahydro-6-methyl-2-oxo-4-pyrimidinyl)urea: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationUrea, N-(hexahydro-6-methyl-2-oxo-4-pyrimidinyl)-: ACTIVE
Applications
Usessignificantly increases the activity of urease and dehydrogenase soil enzymes as well as yield and quality of banana on inceptisol.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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