Basic information
- CAS
10521-52-5- Standard SMILES
CCC(O)Cn1cnc2c(N)ncnc21- InChIKey
XHGGCEWELHECNF-UHFFFAOYSA-N- Molecular formula
- C9H13N5O
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.11201006
Names & identifiers
- Preferred name
- 1-(6-Aminopurin-9-yl)butan-2-ol
- IUPAC
- 1-(6-aminopurin-9-yl)butan-2-ol
Names & synonyms
10521-52-51-(6-aminopurin-9-yl)butan-2-olNSC3617541-(6-amino-9H-purin-9-yl)butan-2-olSCHEMBL13394189DTXSID00320598NSC-361754DS-0062009H-PURINE-9-ETHANOL,6-AMINO-A-ETHYL-
Database identifiers
- CAS
10521-52-5- PubChem CID
- 338599
- DTXSID
DTXSID00320598- Nikkaji
- J1.573.530I
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 215
Experimental & physicochemical properties
LogP0.14
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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