4(3H)-Quinazolinone, 3-(aminomethyl)-6,8-dibromo-, dihydrochloride
Basic information
- CAS
75159-33-0- Standard SMILES
Cl.Cl.NCn1cnc2c(Br)cc(Br)cc2c1=O- InChIKey
TYFMWSKHROOOQI-UHFFFAOYSA-N- Molecular formula
- C9H9Br2Cl2N3O
- Average molar mass
- 405.9 g/mol
- Monoisotopic mass
- 402.84894
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(aminomethyl)-6,8-dibromo-, dihydrochloride
- IUPAC
- 3-(aminomethyl)-6,8-dibromoquinazolin-4-one;dihydrochloride
Names & synonyms
75159-33-04(3H)-Quinazolinone, 3-(aminomethyl)-6,8-dibromo-, dihydrochloride3-(Aminomethyl)-6,8-dibromo-4(3H)-quinazolinone dihydrochlorideDTXSID30226135RefChem:284129DTXCID301486263-(Aminomethyl)-6,8-dibromoquinazolin-4(3H)-one--hydrogen chloride (1/2)
Database identifiers
- CAS
75159-33-0- PubChem CID
- 63568
- DTXSID
DTXSID30226135
Properties
Computed structural properties
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 297
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Compound notes
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