Methyl [(phenylmethylidene)amino]acetate

HCID 4169153

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基本情報

CAS: 66646-88-6
標準SMILES: COC(=O)CN=Cc1ccccc1
InChIKey: YOIONBBMZSLNLR-UHFFFAOYSA-N
分子式: C10H11NO2
平均分子量: 177.2 g/mol

名称と識別子

優先名称: Methyl [(phenylmethylidene)amino]acetate
IUPAC: methyl 2-(benzylideneamino)acetate
英語名: METHYL ((PHENYLMETHYLIDENE)AMINO ACETAT&
分子式: C10H11NO2
分子量: 177.2

名称と別名

Methyl [(phenylmethylidene)amino]acetateMethyl ((phenylmethylidene)amino)acetateRefChem:811871625-605-2Methyl 2-(benzylideneamino)acetate66646-88-6(E)-methyl 2-(benzylideneamino)acetate138495-05-3Methyl (E)-2-(benzylideneamino)acetateMethyl-2-(benzylideneamino)acetateGlycine, N-(phenylmethylene)-, methyl esterMFCD03701585

名称をさらに表示

METHYL ((PHENYLMETHYLIDENE)AMINO ACETAT&[(phenylmethylisoyl)amino]acetic acidmethyl ester

methyl (benzylideneamino)acetateN-Benzylideneglycine methyl esterMethyl (E)-N-benzylideneglycinateN-(phenylmethylene)glycine methyl esterstarbld0011751(benzylidene-amino)-acetic acid methyl estermethyl n-benzylideneglycinateSCHEMBL687935

データベース識別子

CAS: 66646-88-6
PubChem CID: 4169153
DTXSID: DTXSID90400212
EC Number: 625-605-2
Nikkaji: J343.826K、J853.490J

物性

構造計算による物性

XLogP: 1.6
極性表面積: 38.7 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 13
形式電荷: 0
複雑度: 183

物理化学的性質

沸点: 94 · 94-100 °C0.15 mm Hg(lit.)
比重(密度): 1.104 g/mL · 1.104 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.5480(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 2.7 · 2.70±0.50(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)

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.