7,8,9,10-Tetrahydro-6H-azepino[2,1-b]quinazolin-12-ylideneamine
Completing data — refresh the page later to see the latest
Basic information
- CAS
58314-93-5- Standard SMILES
N=c1c2ccccc2nc2n1CCCCC2- InChIKey
SWBGVEITZMQLIH-UHFFFAOYSA-N- Molecular formula
- C13H15N3
- Average molar mass
- 213.28 g/mol
- Monoisotopic mass
- 213.12659749
Names & identifiers
- Preferred name
- 7,8,9,10-Tetrahydro-6H-azepino[2,1-b]quinazolin-12-ylideneamine
- IUPAC
- 7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-imine
- English name
- 7,8,9,10-TETRAHYDRO-6H-AZEPINO[2,1-B]QUINAZOLIN-12-YLIDENEAMINE
- Molecular formula
- C13H15N3
- Molecular weight
- 213.28
Names & synonyms
58314-93-57,8,9,10-Tetrahydro-6H-azepino[2,1-b]quinazolin-12-ylideneamine7,8,9,10-Tetrahydroazepino[2,1-b]quinazolin-12(6H)-imineMLS0031152956H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-12-imine7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-imineNSC248588Oprea1_442656SCHEMBL9387899CHEMBL2142136DTXSID10311977ICA31493
Show more names
Azepino[2,1-b]quinazolin-12(6H)-imine, 7,8,9,10-tetrahydro-
AKOS000122132NSC-248588SMR001830875DB-264016EN300-02596G35467
Database identifiers
- CAS
58314-93-5- PubChem CID
- 317299
- DTXSID
DTXSID10311977- ChEMBL
CHEMBL2142136
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 39.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 321
Physicochemical properties
- Melting point
- 124 · 124-125 °C(Solv: ethanol (64-17-5))
- Boiling point
- 350.6 · 350.6±25.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 7.12 · 7.12±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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