4-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-ol

HCID 68599267

ノート反応

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基本情報

CAS: 119095-00-0
標準SMILES: CN1CCOc2cc(O)ccc21
InChIKey: HQPAKPUZWRXNQS-UHFFFAOYSA-N
分子式: C9H11NO2
平均分子量: 165.19 g/mol
単同位体質量: 165.07897859

名称と識別子

優先名称: 4-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-ol
IUPAC: 4-methyl-2,3-dihydro-1,4-benzoxazin-7-ol

名称と別名

119095-00-04-Methyl-3,4-dihydro-2H-1,4-benzoxazin-7-olRefChem:525183877-460-14-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazin-7-olSCHEMBL3330747SCHEMBL28139537HQPAKPUZWRXNQS-UHFFFAOYSA-NEN300-3214263

データベース識別子

CAS: 119095-00-0
PubChem CID: 68599267
EC Number: 877-460-1

物性

構造計算による物性

XLogP: 1.4
極性表面積: 32.7 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 163

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.