Basic information
- CAS
5461-03-0- Standard SMILES
Nc1nc2[nH]c(=O)[nH]c(=O)c2[nH]1- InChIKey
MWAMGTOITZRWMI-UHFFFAOYSA-N- Molecular formula
- C5H5N5O2
- Average molar mass
- 167.13 g/mol
- Monoisotopic mass
- 167.04432442
Names & identifiers
- Preferred name
- 8-Amino-1H-purine-2,6(3H,7H)-dione
- IUPAC
- 8-amino-3,7-dihydropurine-2,6-dione
- English name
- 8-aminoxanthine
- Molecular formula
- C5H5N5O2
- Molecular weight
- 167.13
Names & synonyms
8-Amino-1H-purine-2,6(3H,7H)-dione8-amino-3,7-dihydro-1h-purine-2,6-dione8-amino-3,7-dihydropurine-2,6-dioneMFCD115570908-amino-2,3,6,7-tetrahydro-1H-purine-2,6-dioneSCHEMBL4473898-amino-2,6-dihydroxy-purineSCHEMBL7672758SCHEMBL22514895NSC23588AKOS006317844AS-83015
Show more names
8-aminoxanthine8-AMINO-3,9-DIHYDRO-1H-PURINE-2,6-DIONE8-amino-3,7(9)-dihydro-purine-2,6-dione1H-Purine-2,6-dione, 8-amino-3,9-dihydro-
SY076140CS-0453507E85729
Database identifiers
- CAS
5461-03-0- PubChem CID
- 95210
- DTXSID
DTXSID10203040- Nikkaji
- J2.896.472B
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- FDA UNII
- 6 XN9MGZ055 · 6XN9MGZ055
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers7 total
韶远科技（上海）有限公司4000665055 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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