Ethanol, 2-(6-amino-9H-purin-9-yl)methoxy-
Basic information
- CAS
31383-66-1- Standard SMILES
Nc1ncnc2c1ncn2COCCO- InChIKey
PEIRNIBZTBBIHT-UHFFFAOYSA-N- Molecular formula
- C8H11N5O2
- Average molar mass
- 209.21 g/mol
- Monoisotopic mass
- 209.09127459
Names & identifiers
- Preferred name
- Ethanol, 2-(6-amino-9H-purin-9-yl)methoxy-
- IUPAC
- 2-[(6-aminopurin-9-yl)methoxy]ethanol
- English name
- 1-[(2-Hydroxyethoxy)Methyl]adenine
- Molecular formula
- C8H11N5O2
- Molecular weight
- 209.21
Names & synonyms
Ethanol, 2-(6-amino-9H-purin-9-yl)methoxy-DTXSID80185309RefChem:340855DTXCID4010780031383-66-12-[(6-aminopurin-9-yl)methoxy]ethanol2-((6-Amino-9H-purin-9-yl)methoxy)ethan-1-olCHEMBL377529-(2-hydroxyethoxymethyl)adenine2-[(6-amino-9H-purin-9-yl)methoxy]ethan-1-olSCHEMBL2293269PEIRNIBZTBBIHT-UHFFFAOYSA-N
Show more names
AcycloA9-[(2-hydroxyethoxy)methyl]adenine1-[(2-Hydroxyethoxy)Methyl]adenine2-[(6-Amino-9H-purin-9-yl)methoxy]ethanol2-((6-AMino-1H-purin-1-yl)Methoxy)ethanolEthanol, 2-[(6-amino-9H-purin-9-yl)methoxy]-
9-(2-hydroxyethoxymethyl) adenineBDBM500296502-(6-Amino-purin-9-ylmethoxy)-ethanolLS-13440CS-0103231F606071
Database identifiers
- CAS
31383-66-1- PubChem CID
- 488933
- DTXSID
DTXSID80185309- ChEMBL
CHEMBL37752- Nikkaji
- J351.203G
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Melting point
- 198 · 198-199 °C
- Boiling point
- 496.142 · 496.142±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.611 · 1.611±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 14.269 · 14.269±0.10(predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
5 records
Compound notes
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