Basic information
- CAS
150012-99-0- Standard SMILES
Clc1ncnc2nc3n(c12)CCCCC3- InChIKey
CZTFMSWINQUHEN-UHFFFAOYSA-N- Molecular formula
- C10H11ClN4
- Average molar mass
- 222.67 g/mol
- Monoisotopic mass
- 222.0672241
Names & identifiers
- Preferred name
- 4-Chloro-7,8,9,10-tetrahydro-6H-azepino[2,1-f]purine
- IUPAC
- 4-chloro-7,8,9,10-tetrahydro-6H-purino[7,8-a]azepine
- English name
- 4-chloro-7,8,9,10-tetrahydro-6H-azepino[2,1-f]purine
- Molecular formula
- C10H11ClN4
- Molecular weight
- 222.67
Names & synonyms
4-chloro-7,8,9,10-tetrahydro-6H-azepino[2,1-f]purine150012-99-04-Chloro-7,8,9,10-tetrahydro-6H-azepino(2,1-f)purineRefChem:2919074-chloro-7,8,9,10-tetrahydro-6H-purino[7,8-a]azepine7,8-pentamethylene-6-chloropurineDTXSID401218688CCG-319983AB00079976-01AH-262/366800266H-Azepino[2,1-f]purine, 4-chloro-7,8,9,10-tetrahydro-
Database identifiers
- CAS
150012-99-0- PubChem CID
- 768615
- DTXSID
DTXSID401218688- Nikkaji
- J547.072B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Boiling point
- 430.6 · 430.6±25.0 °C(Predicted)
- Density
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- pka
- 0.92 · 0.92±0.20(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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