Basic information
- CAS
16015-59-1- Standard SMILES
NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12- InChIKey
CNLKBXSFYXUQQH-UHFFFAOYSA-N- Molecular formula
- C16H13N3O2
- Average molar mass
- 279.29 g/mol
- Monoisotopic mass
- 279.10077667
Names & identifiers
- Preferred name
- 3-Benzyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide
- IUPAC
- 3-benzyl-4-oxophthalazine-1-carboxamide
- English name
- 3-Benzyl-4-oxo-3,4-dihydro-phthalazine-1-carboxylic acid amide
- Molecular formula
- C16H13N3O2
- Molecular weight
- 279.29
Names & synonyms
16015-59-13-Benzyl-4-oxo-3,4-dihydrophthalazine-1-carboxamideDTXSID30368665RefChem:497995DTXCID80319703965-467-33-Benzyl-4-oxo-3,4-dihydro-phthalazine-1-carboxylic acid amide3-benzyl-4-oxophthalazine-1-carboxamideHMS1754P111-Phthalazinecarboxamide,3,4-dihydro-4-oxo-3-(phenylmethyl)-MLS001176167CHEMBL1597341
Show more names
Anabasine Impurity 21-Phthalazinecarboxamide, 3,4-dihydro-4-oxo-3-(phenylmethyl)-
HMS2903B19RAA01559AKOS0221818113-benzyl-4-oxo-phthalazine-1-carboxamideSMR000590396CS-0290852EN300-05656G33789
Database identifiers
- CAS
16015-59-1- PubChem CID
- 2437237
- DTXSID
DTXSID30368665- ChEMBL
CHEMBL1597341- EC Number
- 965-467-3
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 454
Physicochemical properties
- Boiling point
- 500.4 · 500.4±43.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 12.05 · 12.05±0.20(Predicted)
- 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
Chemistry & industry
Suppliers5 total
Ryan Scientific, Inc.[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
ENAMINE-CHI[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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