5,6-Diamino-1,3-diethyluracil Hydrochloride
Basic information
- CAS
1785764-26-2- Standard SMILES
CCn1c(N)c(N)c(=O)n(CC)c1=O.Cl- InChIKey
UQWLJOFXKBZWCI-UHFFFAOYSA-N- Molecular formula
- C8H15ClN4O2
- Average molar mass
- 234.68 g/mol
- Monoisotopic mass
- 234.0883534
Names & identifiers
- Preferred name
- 5,6-Diamino-1,3-diethyluracil Hydrochloride
- IUPAC
- 5,6-diamino-1,3-diethylpyrimidine-2,4-dione;hydrochloride
- English name
- 5,6-Diamino-1,3-diethyluracil Hydrochloride
- Molecular formula
- C8H15ClN4O2
- Molecular weight
- 234.69
Names & synonyms
1785764-26-25,6-Diamino-1,3-diethyluracil HydrochlorideRefChem:527952811-009-15,6-Diamino-1,3-diethylpyrimidine-2,4(1H,3H)-dione hydrochlorideMFCD225735612,4(1H,3H)-Pyrimidinedione, 5,6-diamino-1,3-diethyl-, hydrochloride (1:1)5,6-diamino-1,3-diethyl-2,4(1H,3H)-pyrimidinedione hydrochloride5,6-diamino-1,3-diethylpyrimidine-2,4-dione;hydrochlorideAKOS016028463AS-0045SB60547
Show more names
Istradefylline Impurity 20Istradefylline Impurity 5 HCl5,6-diamino-1,3-diethylpyrimidine-25,6-Diamino-1,3-diethyluracil Hydrochloride >5,6-diamino-1,3-diethylpyrimidine-2,4(1H,3H)-dione hydrochloride
SY1170655,6-DIAMINO-1,3-DIETHYLURACIL HCLD4659T704455,6-diamino-1,3-diethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione hydrochlorideAMY38578FSS2K99YMNSCHEMBL28143496
Database identifiers
- CAS
1785764-26-2- PubChem CID
- 71299790
- UNII
- FSS2K99YMN
- EC Number
- 811-009-1
Properties
Computed structural properties
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Melting point
- 235 to · 235.0 to 239.0 °C
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- powder to crystal
- color
- White to Light yellow
- InChI
- InChI=1S/C8H14N4O2.ClH/c1-3-11-6(10)5(9)7(13)12(4-2)8(11)14;/h3-4,9-10H2,1-2H3;1H
- InChIKey
- UQWLJOFXKBZWCI-UHFFFAOYSA-N
- SMILES
- N1(CC)C(N)=C(N)C(=O)N(CC)C1=O.Cl
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- HS Code
- 2933.59 · 2933.59.9500
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]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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
- 2933.59.9500
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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