4-メチル-3,4-ジヒドロ-1H-1,4-ベンゾジアゼピン-2,5-ジオン

4-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione

HCID 3725575

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 3415-35-8
標準SMILES: CN1CC(=O)Nc2ccccc2C1=O
InChIKey: ZVHUQIMPAVOVTR-UHFFFAOYSA-N
分子式: C10H10N2O2
平均分子量: 190.2 g/mol
単同位体質量: 190.07422756

名称と識別子

優先名称: 4-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione
IUPAC: 4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
現地名: 4-メチル-3,4-ジヒドロ-1H-1,4-ベンゾジアゼピン-2,5-ジオン
英語名: 4-Methyl-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione
分子式: C10H10N2O2
分子量: 190.2

名称と別名

3,4-Dihydro-4-methyl-1H-1,4-benzodiazepine-2,5-dione4-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dioneRefChem:524999898-929-73415-35-84-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione4-methyl-3,4-dihydro-1h-benzo[e][1,4]diazepine-2,5-dione4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dioneMFCD008353451H-1,4-Benzodiazepine-2,5-dione,3,4-dihydro-4-methyl-1H-1,4-BENZODIAZEPINE-2,5-DIONE, 3,4-DIHYDRO-4-METHYL-MLS001195424

名称をさらに表示

4-メチル-3,4-ジヒドロ-1H-1,4-ベンゾジアゼピン-2,5-ジオン

SCHEMBL5068051SCHEMBL72656904-Methyl-3,4-dihydrobenzo[e][1,4]diazepine-2,5-dioneCHEMBL1892923DTXSID70395576ZVHUQIMPAVOVTR-UHFFFAOYSA-NHMS1646O03HMS2884M05

データベース識別子

CAS: 3415-35-8
PubChem CID: 3725575
DTXSID: DTXSID70395576
ChEMBL: CHEMBL1892923
EC Number: 898-929-7
Nikkaji: J1.937.122K

物性

構造計算による物性

XLogP: 0.4
極性表面積: 49.4 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: 0
重原子数: 14
形式電荷: 0
複雑度: 265

実験および物理化学的性質

Solubility>28.5 [ug/mL] (The mean of the results at pH 7.4)

物理化学的性質

融点: 223 · 223-226 °C(Solv: ethanol (64-17-5))
沸点: 430.7 · 430.7±38.0 °C(Predicted)
比重(密度): 1.234 · 1.234±0.06 g/cm3(Predicted)
酸解離定数(Pka): 13.2 · 13.20±0.20(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)

安全データ

hazard_class: IRRITANT

化学と産業

応用分野

使用3,4-Dihydro-4-methyl-1H-1,4-benzodiazepine-2,5-dione is used as a reactant in the synthetic preparation and cyclopropanation of 3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-diones.