N-[(phenylmethylidene)amino]guanidine
Basic information
- CAS
3357-37-7- Standard SMILES
NC(N)=N/N=C/c1ccccc1- InChIKey
WNPXUCYRKHVMAD-UHFFFAOYSA-N- Molecular formula
- C8H10N4
- Average molar mass
- 162.19 g/mol
- Monoisotopic mass
- 162.09054634
Names & identifiers
- Preferred name
- N-[(phenylmethylidene)amino]guanidine
- IUPAC
- 2-[(E)-benzylideneamino]guanidine
- English name
- 1-(Benzylideneamino)guanidine
- Molecular formula
- C8H10N4
- Molecular weight
- 162.19
Names & synonyms
N-[(phenylmethylidene)amino]guanidineN-((phenylmethylidene)amino)guanidineRefChem:823219982-666-03357-37-72-benzylidenehydrazinecarboximidamide1-[(phenylmethylidene)amino]guanidine2-[(E)-benzylideneamino]guanidine(2E)-2-benzylidenehydrazinecarboximidamide hydrobromideCHEMBL1183425Hydrazinecarboximidamide, 2-(phenylmethylene)-hydrazinecarboximidamide, 2-(phenylmethylene)-, (2E)-, hydrobromide
Show more names
1-(Benzylideneamino)guanidine2-Benzylidenehydrazinecarbimide amide2-(Phenylmethylene)hydrazinecarbimide amide
2-benzylidenehydrazine-1-carboximidamide(2E)-2-(Phenylmethylene)hydrazinecarboximidamideHydrazinecarboximidamide, 2-(phenylmethylene)-, (2E)-BenzalaminoguanidinNSC302362NSC 302362(E)-2-Benzylidenehydrazine-1-carboximidamideMLS000532721
Database identifiers
- CAS
3357-37-7、74187-86-3- PubChem CID
- 9568045
- ChEMBL
CHEMBL1183425- EC Number
- 982-666-0
- Nikkaji
- J313.743K
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 76.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Melting point
- 182 °C · 182 °C
- Boiling point
- 284.3 · 284.3±23.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 9.02 · 9.02±0.30(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…