2-(1H-Purin-6-ylamino)ethanol
Basic information
- CAS
4551-95-5- Standard SMILES
OCCNc1ncnc2nc[nH]c12- InChIKey
QFSMBOBIZVSDLV-UHFFFAOYSA-N- Molecular formula
- C7H9N5O
- Average molar mass
- 179.18 g/mol
- Monoisotopic mass
- 179.08070993
Names & identifiers
- Preferred name
- 2-(1H-Purin-6-ylamino)ethanol
- IUPAC
- 2-(7H-purin-6-ylamino)ethanol
- English name
- 6-(beta-Hydroxyethylamino)-purine
- Molecular formula
- C7H9N5O
- Molecular weight
- 179.18
Names & synonyms
4551-95-52-(1H-Purin-6-ylamino)ethanol2-(9H-Purin-6-ylamino)ethanol2-((9H-Purin-6-yl)amino)ethanolN6-(2-HYDROXYETHYL)ADENINE2-(7H-purin-6-ylamino)ethanolNSC11590NSC-115902-[(9H-purin-6-yl)amino]ethan-1-ol9AD2B660I3Ethanol, 2-(1H-purin-6-ylamino)-2-((3h-Purin-6-yl)amino)ethan-1-ol
Show more names
Adefovir Impurity 31Adefovir Dipivoxil Impurity 14Adefovir Dipivoxyl Impurity 15Ethanol, 2-(9H-purin-6-ylamino)-6-(2-Hydroxyethylamino)-9H-purine6-(2-Hydroxyethylamino)-1H-purine
2-((7H-purin-6-yl)amino)ethan-1-ol2-((9H-purin-6-yl)amino)ethan-1-ol2-[(7H-purin-6-yl)amino]ethan-1-olUNII-9AD2B660I3EINECS 224-920-9NCI60_000361NCIStruc1_000083NCIStruc2_000256
Database identifiers
- CAS
4551-95-5- PubChem CID
- 20684
- DTXSID
DTXSID10196544- ChEMBL
CHEMBL454802- UNII
- 9AD2B660I3
- EC Number
- 224-920-9
- Nikkaji
- J236.689D
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- FDA UNII
- 9 AD2B660I3 · 9AD2B660I3
Chemistry & industry
Upstream & downstream products
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Compound notes
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