4(3H)-Quinazolinone, 3-(aminomethyl)-6-nitro-, dihydrochloride
Basic information
- CAS
75159-36-3- Standard SMILES
Cl.Cl.NCn1cnc2ccc([N+](=O)[O-])cc2c1=O- InChIKey
AOUXSGCKWGAPJJ-UHFFFAOYSA-N- Molecular formula
- C9H10Cl2N4O3
- Average molar mass
- 293.1 g/mol
- Monoisotopic mass
- 292.0129956
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(aminomethyl)-6-nitro-, dihydrochloride
- IUPAC
- 3-(aminomethyl)-6-nitroquinazolin-4-one;dihydrochloride
Names & synonyms
4(3H)-Quinazolinone, 3-(aminomethyl)-6-nitro-, dihydrochloride75159-36-33-(Aminomethyl)-6-nitro-4(3H)-quinazolinone dihydrochlorideDTXSID10226138RefChem:284133DTXCID101486293-(Aminomethyl)-6-nitroquinazolin-4(3H)-one--hydrogen chloride (1/2)
Database identifiers
- CAS
75159-36-3- PubChem CID
- 63570
- DTXSID
DTXSID10226138
Properties
Computed structural properties
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 338
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