4-(Aminomethyl)-N-hydroxybenzimidamide
Basic information
- CAS
328552-93-8- Standard SMILES
NCc1ccc(C(N)=NO)cc1- InChIKey
UNFAAXQGZJDPCX-UHFFFAOYSA-N- Molecular formula
- C8H11N3O
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.09021198
Names & identifiers
- Preferred name
- 4-(Aminomethyl)-N-hydroxybenzimidamide
- IUPAC
- 4-(aminomethyl)-N'-hydroxybenzenecarboximidamide
- English name
- 4-(Aminomethyl)-N-hydroxy-benzenecarboximidamide
- Molecular formula
- C8H11N3O
- Molecular weight
- 165.19
Names & synonyms
328552-93-84-(Aminomethyl)-N-hydroxybenzimidamide4-(Aminomethyl)-N'-hydroxybenzene-1-carboximidamideSCHEMBL4253164SCHEMBL5154706DTXSID10695340AKOS017404984Reaxys ID: 90457004-(Aminomethyl)-N-hydroxy-benzenecarboximidamideBenzenecarboximidamide, 4-(aminomethyl)-N-hydroxy-
Database identifiers
- CAS
328552-93-8- PubChem CID
- 53404195
- DTXSID
DTXSID10695340
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 84.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Boiling point
- 316.3 · 316.3±44.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 15.07 · 15.07±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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