Hydrouracil, 1-methyl-
Basic information
- CAS
696-11-7- Standard SMILES
CN1CCC(=O)NC1=O- InChIKey
LPQUIFIUJKZJRT-UHFFFAOYSA-N- Molecular formula
- C5H8N2O2
- Average molar mass
- 128.13 g/mol
- Monoisotopic mass
- 128.0585775
Names & identifiers
- Preferred name
- Hydrouracil, 1-methyl-
- IUPAC
- 1-methyl-1,3-diazinane-2,4-dione
- English name
- 2,4(1H,3H)-Pyrimidinedione, dihydro-1-methyl-
- Molecular formula
- C5H8N2O2
- Molecular weight
- 128.13
Names & synonyms
696-11-7Hydrouracil, 1-methyl-2,4(1H,3H)-Pyrimidinedione, dihydro-1-methyl-DTXSID40285495RefChem:147109DTXCID60236646LPQUIFIUJKZJRT-UHFFFAOYSA-N1-methyl-1,3-diazinane-2,4-dione1-methyldihydropyrimidine-2,4(1h,3h)-dione1-Methyldihydro-2,4(1H,3H)-pyrimidinedione1-methylhexahydropyrimidine-2,4-dioneMFCD00127872
Show more names
Dihydro-1-Methyluracil5-broMo-1-Methyl-dihydro-pyriMidine-2,4-dione
methyldihydrouracilNSC420571-methyl-5,6-dihydrouracilSCHEMBL3182138SCHEMBL8668621AAA69611NSC-42057AKOS004910242
Database identifiers
- CAS
696-11-7- PubChem CID
- 237963
- DTXSID
DTXSID40285495- EC Number
- 858-626-2
- Nikkaji
- J707.051I
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 155
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- Melting point
- 129 · 129-131 °C
- Density
- 1.202 · 1.202±0.06 g/cm3(Predicted)
- pka
- 13.14 · 13.14±0.20(Predicted)
- form
- crystalline powder
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 302 · P302+P352-P305+P351+P338-P362+P364
- HS Code
- 2933599590 · 2933599590
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
Warning
H315 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P302+P352-P305+P351+P338-P362+P364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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