Guanidine, (2,3-dihydro-7-methyl-3-benzofuranyl)-, nitrate
Basic information
- CAS
3526-31-6- Standard SMILES
Cc1cccc2c1OCC2[NH2+]C(=N)N.O=[N+]([O-])[O-]- InChIKey
UIPRULKYMQYIQR-UHFFFAOYSA-O- Molecular formula
- C10H14N4O4
- Average molar mass
- 254.24 g/mol
- Monoisotopic mass
- 254.10150494
Names & identifiers
- Preferred name
- Guanidine, (2,3-dihydro-7-methyl-3-benzofuranyl)-, nitrate
- IUPAC
- carbamimidoyl-(7-methyl-2,3-dihydro-1-benzofuran-3-yl)azanium nitrate
Names & synonyms
SK&F 90238N-(7-Methylcoumaran-3-yl)guanidine nitrate3526-31-6(2,3-Dihydro-7-methyl-3-benzofuranyl)guanidine nitrateGUANIDINE, (2,3-DIHYDRO-7-METHYL-3-BENZOFURANYL)-, NITRATERefChem:346693
Database identifiers
- CAS
3526-31-6- PubChem CID
- 19044
Properties
Computed structural properties
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 250
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Compound notes
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