Ethyl adenine-9-acetate
Basic information
- CAS
25477-96-7- Standard SMILES
CCOC(=O)Cn1cnc2c(N)ncnc21- InChIKey
MCOVDURKZQNFBE-UHFFFAOYSA-N- Molecular formula
- C9H11N5O2
- Average molar mass
- 221.22 g/mol
- Monoisotopic mass
- 221.09127461
Overview
structure in first source
Names & identifiers
- Preferred name
- Ethyl adenine-9-acetate
- IUPAC
- ethyl 2-(6-aminopurin-9-yl)acetate
- English name
- Ethyl adenine-9-acetate
- Molecular formula
- C9H11N5O2
- Molecular weight
- 221.22
Names & synonyms
ETHYL ADENINE-9-ACETATE25477-96-7DTXSID00350870RefChem:921290DTXCID90301937ethyl 2-(6-amino-9H-purin-9-yl)acetateethyl 2-(6-aminopurin-9-yl)acetateMFCD01321238ETHYLADENINE-9-ACETATEOprea1_3427829H-Purine-9-acetic acid, 6-amino-, ethyl esterAKOS009156758
Show more names
ETHYL ADENINE-9-ACETATE 97%ethyl 2-(9H-adenin-9-yl)acetateAdenine acetic acid ethyl esterEthyl2-(6-amino-9H-purin-9-yl)acetate6-Amino-9H-purine-9-acetic acid ethyl ester(6-Amino-9H-purine-9-yl)acetic acid ethyl ester2-(6-Amino-9H-purin-9-yl)acetic acid ethyl ester
Ethyl (6-Amino-9H-purin-9-yl)acetateSY083643CS-0037933EN300-6511133Ethyl 9-(6-amino-(imidazo[5,4-d]pyrimidine))-acetateethyl adenin-9-ylacetateFT-0763669ethyl 2-(6-amino-9H-puri
Database identifiers
- CAS
25477-96-7- PubChem CID
- 688302
- DTXSID
DTXSID00350870- ChEMBL
CHEMBL4443542- Nikkaji
- J358.438K
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Melting point
- 224 · 224-228 °C (dec.)(lit.)
- Boiling point
- 443.1 · 443.1±55.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 3.78 · 3.78±0.10(Predicted)
- Appearance
- Off-white to pink 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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