4-aminophthalazin-1(2H)-one
Basic information
- CAS
13580-88-6- Standard SMILES
Nc1n[nH]c(=O)c2ccccc12- InChIKey
IUBSMBJKUKVEMK-UHFFFAOYSA-N- Molecular formula
- C8H7N3O
- Average molar mass
- 161.16 g/mol
- Monoisotopic mass
- 161.05891186
Overview
structure in first source
Names & identifiers
- Preferred name
- 4-aminophthalazin-1(2H)-one
- IUPAC
- 4-amino-2H-phthalazin-1-one
- English name
- 1(2H)-Phthalazinone, 4-amino-
- Molecular formula
- C8H7N3O
- Molecular weight
- 161.16
Names & synonyms
4-aminophthalazin-1(2H)-oneRefChem:51737313580-88-64-amino-2H-phthalazin-1-one4-amino-1,2-dihydrophthalazin-1-one1(2H)-Phthalazinone, 4-amino-MFCD20690750CHEMBL23487244-aminophthalazin-1-ol4-Amino-1(2H)-phthalazinone4-Amino-phthalazone4-Amino-1-oxo-1,2-dihydrophthalazine
Show more names
4-Amino-1-phthalazinoneSCHEMBL392235SCHEMBL1032659SCHEMBL88083484-Amino-1(2H)-phthalazinone #DTXSID901309953BDBM50431996STL367865
Database identifiers
- CAS
13580-88-6- PubChem CID
- 595178
- DTXSID
DTXSID901309953- ChEMBL
CHEMBL2348724- EC Number
- 894-829-2
- Nikkaji
- J586.266C
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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, 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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
1 records
Compound notes
Loading…