Basic information
- Standard SMILES
CCCOc1ncnc2nc[nH]c12- InChIKey
UQQKEKTYLCCYSN-UHFFFAOYSA-N- Molecular formula
- C8H10N4O
- Average molar mass
- 178.19 g/mol
- Monoisotopic mass
- 178.08546094
Names & identifiers
- Preferred name
- 6-Propoxy-1H-purine
- IUPAC
- 6-propoxy-7H-purine
- English name
- 6-n-Propoxypurine
- Molecular formula
- C8H10N4O
- Molecular weight
- 178.19
Names & synonyms
6-Propoxy-1H-purine6-n-Propoxypurine5417-86-76-propoxy-9H-purine6-propoxy-7H-purine9H-Purine, 6-propoxy-EINECS 226-522-0Purine, 6-propoxy-6-n-Propoxypurine, >=99%SCHEMBL9094494DTXSID00202522NSC11594
Show more names
6-PROPOXYPURINE6-Propyloxy-1H-purine6-n-Propoxypurine >=99%6-(Propyloxy)-9H-purine
MFCD00022653NSC 11594NSC-11594AKOS006273480AKOS024319162DB-052507NS00032991
Database identifiers
- CAS
5417-86-7- PubChem CID
- 79451
- DTXSID
DTXSID00202522- EC Number
- 226-522-0
- Nikkaji
- J217.995D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- storage temp.
- 20 °C · −20°C
- form
- solid
- InChI
- 1S/C8H10N4O/c1-2-3-13-8-6-7(10-4-9-6)11-5-12-8/h4-5H,2-3H2,1H3,(H,9,10,11,12)
- InChIKey
- UQQKEKTYLCCYSN-UHFFFAOYSA-N
- SMILES
- CCCOC1=NC=NC2=C1NC=N2
- UNSPSC Code
- 41106305 · 41106305
- WGK Germany
- 3 · 3
- Storage Class
- 13 · 13 - Non Combustible Solids
Safety & regulation
Safety data
- wgk
- 3
- Storage Class
- 13 - Non Combustible Solids
Chemistry & industry
Suppliers3 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Linked notes
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