2-[(1-naphthylmethyl)amino]-N-(2-nitrophenyl)acetamide
Basic information
- CAS
882079-28-9- Standard SMILES
O=C(CNCc1cccc2ccccc12)Nc1ccccc1[N+](=O)[O-]- InChIKey
HUWKAHSNBYHOCY-UHFFFAOYSA-N- Molecular formula
- C19H17N3O3
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.12699141
Names & identifiers
- Preferred name
- 2-[(1-naphthylmethyl)amino]-N-(2-nitrophenyl)acetamide
- IUPAC
- 2-(naphthalen-1-ylmethylamino)-N-(2-nitrophenyl)acetamide
- English name
- 2-[(1-Naphthylmethyl)amino]-N-(2-nitrophenyl)acetamide
- Molecular formula
- C19H17N3O3
- Molecular weight
- 335.36
Names & synonyms
882079-28-92-[(1-naphthylmethyl)amino]-N-(2-nitrophenyl)acetamide2-(naphthalen-1-ylmethylamino)-N-(2-nitrophenyl)acetamide2-{[(naphthalen-1-yl)methyl]amino}-N-(2-nitrophenyl)acetamideMLS000721771CHEMBL1348142DTXSID501330095HMS2718B21MFCD03414432AKOS005106169JS-2006SMR000336931
Show more names
SALOR-INT L130230-1EAAcetamide, 2-[(1-naphthalenylmethyl)amino]-N-(2-nitrophenyl)-
2-(1-naphthylmethylamino)-N-(2-nitrophenyl)acetamide2-((Naphthalen-1-ylmethyl)amino)-N-(2-nitrophenyl)acetamideN~2~-[(Naphthalen-1-yl)methyl]-N-(2-nitrophenyl)glycinamide
Database identifiers
- CAS
882079-28-9- PubChem CID
- 5115810
- DTXSID
DTXSID501330095- ChEMBL
CHEMBL1348142- EC Number
- 121-698-4
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 465
Experimental & physicochemical properties
Solubility5.4 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 585.4 · 585.4±40.0 °C(Predicted)
- Density
- 1.317 · 1.317±0.06 g/cm3(Predicted)
- pka
- 12.89 · 12.89±0.70(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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, 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%)
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Compound notes
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