4-Ethylamino-3-nitrobenzamide

HCID 3708922

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Basic information

CAS: 62306-06-3
Standard SMILES: CCNc1ccc(C(N)=O)cc1[N+](=O)[O-]
InChIKey: JJDONAVASZMYRM-UHFFFAOYSA-N
Molecular formula: C9H11N3O3
Average molar mass: 209.2 g/mol
Monoisotopic mass: 209.08004122

Names & identifiers

Preferred name: 4-Ethylamino-3-nitrobenzamide
IUPAC: 4-(ethylamino)-3-nitrobenzamide

Names & synonyms

4-ETHYLAMINO-3-NITROBENZAMIDERefChem:522842653-486-762306-06-34-(ethylamino)-3-nitrobenzamideBenzamide, 4-(ethylamino)-3-nitro-SCHEMBL5674224DTXSID90395336JJDONAVASZMYRM-UHFFFAOYSA-N3-nitro-4-(N-ethylamino)-benzamideAKOS008922737

Database identifiers

CAS: 62306-06-3
PubChem CID: 3708922
DTXSID: DTXSID90395336
EC Number: 653-486-7

Properties

Computed structural propertiesFilling in

XLogP: 1.6
Topological polar surface area: 101 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 251

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.