5-Amino-2-butyl-2,3-dihydro-1H-isoindol-1-one

HCID 67432065

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 1338436-16-0
標準SMILES: CCCCN1Cc2cc(N)ccc2C1=O
InChIKey: HQCXEJCRNPPLQB-UHFFFAOYSA-N
分子式: C12H16N2O
平均分子量: 204.27 g/mol
単同位体質量: 204.12626314

名称と識別子

優先名称: 5-Amino-2-butyl-2,3-dihydro-1H-isoindol-1-one
IUPAC: 5-amino-2-butyl-3H-isoindol-1-one

名称と別名

1338436-16-05-AMINO-2-BUTYL-2,3-DIHYDRO-1H-ISOINDOL-1-ONE5-Amino-2-butylisoindolin-1-oneSCHEMBL2504791HQCXEJCRNPPLQB-UHFFFAOYSA-NDA-38042EN300-790947

データベース識別子

CAS: 1338436-16-0
PubChem CID: 67432065
EC Number: 186-670-6

物性

構造計算による物性

XLogP: 1.5
極性表面積: 46.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 15
形式電荷: 0
複雑度: 242

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.