4-Ethylamino-3-nitrobenzamide

HCID 3708922CAS 62306-06-3

基本情報

標準SMILES: CCNc1ccc(C(N)=O)cc1[N+](=O)[O-]
InChIKey: JJDONAVASZMYRM-UHFFFAOYSA-N
分子式: C9H11N3O3
平均分子量: 209.2 g/mol
単同位体質量: 209.08004122

名称と識別子

優先名称: 4-Ethylamino-3-nitrobenzamide
IUPAC: 4-(ethylamino)-3-nitrobenzamide

名称と別名

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

データベース識別子

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

物性

構造計算による物性

XLogP: 1.6
極性表面積: 101 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 15
形式電荷: 0
複雑度: 251

安全と法規制

GHS分類

GHS Classification · 5 件

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.