Basic information
- CAS
736898-67-2- Standard SMILES
CC(=N)Nc1ccc(O)cc1- InChIKey
PLDHOUZIQXUYNV-UHFFFAOYSA-N- Molecular formula
- C8H10N2O
- Average molar mass
- 150.18 g/mol
- Monoisotopic mass
- 150.07931295
Names & identifiers
- Preferred name
- N-(4-Hydroxy-phenyl)-acetamidine; hydrobromide
- IUPAC
- N'-(4-hydroxyphenyl)ethanimidamide
- English name
- Ethanimidamide, N-(4-hydroxyphenyl)- (9CI)
- Molecular formula
- C8H10N2O
- Molecular weight
- 150.18
Names & synonyms
CHEMBL542912CHEMBL1191770BDBM50065832N-(4-Hydroxy-phenyl)-acetamidine; hydrobromideN'-(4-hydroxyphenyl)ethanimidamideEthanimidamide, N-(4-hydroxyphenyl)-Ethanimidamide, N-(4-hydroxyphenyl)- (9CI)
Database identifiers
- CAS
736898-67-2- PubChem CID
- 44328934
- ChEMBL
CHEMBL1191770、CHEMBL542912
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Boiling point
- 259.5 · 259.5±42.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 9 · 9+-.0.26(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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