N-Propylsalicylamide

HCID 81966CAS 7461-94-1

基本情報

標準SMILES: CCCNC(=O)c1ccccc1O
InChIKey: IJIQGUFVADZGKO-UHFFFAOYSA-N
分子式: C10H13NO2
平均分子量: 179.22 g/mol
単同位体質量: 179.09462866

名称と識別子

優先名称: N-Propylsalicylamide
IUPAC: 2-hydroxy-N-propylbenzamide

名称と別名

2-hydroxy-N-propylbenzamideN-PropylsalicylamideBenzamide, 2-hydroxy-N-propyl-7461-94-18W7XWW74HSEINECS 231-250-0NSC-404130AI3-16240DTXSID80225597NSC 404130RefChem:831069DTXCID10148088

名称をさらに表示

231-250-0Salicylamide, N-propyl-NSC404130UNII-8W7XWW74HSSCHEMBL166777SCHEMBL1238119AKOS000207118DB-423449

データベース識別子

CAS: 7461-94-1
PubChem CID: 81966
DTXSID: DTXSID80225597
UNII: 8W7XWW74HS
EC Number: 231-250-0
Nikkaji: J278.865I

物性

構造計算による物性

XLogP: 2.2
極性表面積: 49.3 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 13
形式電荷: 0
複雑度: 170

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, 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. Each notification may be associated with multiple companies.