Basic information
- CAS
4244-45-5- Standard SMILES
N#CCCn1cnc2c(N)ncnc21- InChIKey
PCGWZBUXNQNKOU-UHFFFAOYSA-N- Molecular formula
- C8H8N6
- Average molar mass
- 188.19 g/mol
- Monoisotopic mass
- 188.08104426
Names & identifiers
- Preferred name
- 3-(6-Amino-9h-purin-9-yl)propanenitrile
- IUPAC
- 3-(6-aminopurin-9-yl)propanenitrile
Names & synonyms
3-(6-amino-9h-purin-9-yl)propanenitrile4244-45-5DTXSID50292019RefChem:274987DTXCID902431613-(6-aminopurin-9-yl)propanenitrileNSC796683-(6-aminopurin-9-yl)propionitrileN9-(cyanoethyl)adenine9-(2-Cyanoethyl)adenineNCIOpen2_000908SCHEMBL6692351
Show more names
PCGWZBUXNQNKOU-UHFFFAOYSA-NNSC-79668AKOS004910221DS-013862AO-801/41077552
Database identifiers
- CAS
4244-45-5- PubChem CID
- 254923
- DTXSID
DTXSID50292019- Nikkaji
- J2.871.940J
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 245
Related reactions
4 records
Compound notes
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