Basic information
- CAS
22126-44-9- Standard SMILES
O=c1cc(CO)[nH]c(=O)[nH]1- InChIKey
JVZRLPFSWSIONO-UHFFFAOYSA-N- Molecular formula
- C5H6N2O3
- Average molar mass
- 142.11 g/mol
- Monoisotopic mass
- 142.03784205
Names & identifiers
- Preferred name
- 6-(Hydroxymethyl)uracil
- IUPAC
- 6-(hydroxymethyl)-1H-pyrimidine-2,4-dione
- English name
- 6-(HYDROXYMETHYL)URACIL
- Molecular formula
- C5H6N2O3
- Molecular weight
- 142.11
Names & synonyms
6-(Hydroxymethyl)uracil22126-44-92,4(1H,3H)-Pyrimidinedione, 6-(hydroxymethyl)-PNS2EUP1Y2NSC 104987UNII-PNS2EUP1Y2NSC-104987NSC-253551DTXSID10176649URACIL, 6-(HYDROXYMETHYL)-6-HYDROXYMETHYLURACIL METABOLITE OF TIPIRACIL6-(HYDROXYMETHYL)-2,4(1H,3H)-PYRIMIDINEDIONE
Show more names
NSC 253551RARECHEM AH CK 0116Piracetam EP Impurity 4Tipyrimidine impurity 56-(Hydroxymethyl)uracil 98%
RefChem:199060DTXCID60991406-(hydroxymethyl)pyrimidine-2,4(1H,3H)-dione6-(hydroxymethyl)-1H-pyrimidine-2,4-dioneMFCD00797681NSC 104987; NSC 253551Uracil Impurity 2NSC104987
Database identifiers
- CAS
22126-44-9- PubChem CID
- 97191
- DTXSID
DTXSID10176649- UNII
- PNS2EUP1Y2
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Density
- 1.401 · 1.401±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 8.38 · 8.38±0.10(Predicted)
- Appearance
- White to yellow Solid
- InChI
- InChI=1S/C5H6N2O3/c8-2-3-1-4(9)7-5(10)6-3/h1,8H,2H2,(H2,6,7,9,10)
- InChIKey
- JVZRLPFSWSIONO-UHFFFAOYSA-N
- SMILES
- C1(=O)NC(CO)=CC(=O)N1
- FDA UNII
- 2 EUP1Y2 · PNS2EUP1Y2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- 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.
Safety data
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers35 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
Related reactions
1 records
Compound notes
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