N-メチルサリチルアミド

N-Methylsalicylamide

HCID 74624CAS 1862-88-0

部分構造検索類似構造を探す

基本情報

標準SMILES: CNC(=O)c1ccccc1O
InChIKey: BCKXMQIYWWTZDP-UHFFFAOYSA-N
分子式: C8H9NO2
平均分子量: 151.16 g/mol
単同位体質量: 151.06332853

名称と識別子

優先名称: N-Methylsalicylamide
IUPAC: 2-hydroxy-N-methylbenzamide
現地名: N-メチルサリチルアミド
英語名: N-Methylsalicylamide
分子式: C8H9NO2
分子量: 151.16

名称と別名

N-Methylsalicylamide2-Hydroxy-N-methylbenzamideSalicylmethylamideSalicylamide, N-methyl-Benzamide, 2-hydroxy-N-methyl-NSC 522443QCE3HZ1G0GN-Methyl-o-hydroxybenzamideN-Methyl-2-hydroxybenzamideBRN 1100579UNII-QCE3HZ1G0GNSC-522443

名称をさらに表示

N-メチル-2-ヒドロキシベンズアミドN-メチルサリチルアミド2-ヒドロキシ-N-メチルベンズアミドWLN: QR BVM1n-methyl-salicylamid2-HYDROXY-N-METHYL-BENZAMIDEBenzamide, 2-hydroxy-N-methyl- (9CI)

DTXSID801718683-10-00-00152 (Beilstein Handbook Reference)Benzoic amide, 2-hydroxy-N-methyl-RefChem:163896DTXCID1094359Benzamide, 2-hydroxy-N-methyl-(9CI)833-635-4BCKXMQIYWWTZDP-UHFFFAOYSA-N

データベース識別子

CAS: 1862-88-0
PubChem CID: 74624
DTXSID: DTXSID80171868
ChEMBL: CHEMBL5590697
UNII: QCE3HZ1G0G
EC Number: 833-635-4
Nikkaji: J48.305B

物性

構造計算による物性

XLogP: 1.3
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: 1
重原子数: 11
形式電荷: 0
複雑度: 147

物理化学的性質

融点: 89 °C · 89 °C
沸点: 335.8 · 335.8±25.0 °C(Predicted)
比重(密度): 1.179 · 1.179±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 8.48 · 8.48±0.35(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

毒性: rat,LD50,intraperitoneal,350mg/kg (350mg/kg),Journal of Pharmacology and Experimental Therapeutics. Vol. 108, Pg. 450, 1953.
hs_code: 2924297099
risk_code: 41
safety_code: 26-39