Methyl 2-(bis((tert-butoxy)carbonyl)amino)prop-2-enoate

HCID 10870342

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基本情報

CAS: 201338-62-7
標準SMILES: C=C(C(=O)OC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIKey: XTHKWMJJDXMJHI-UHFFFAOYSA-N
分子式: C14H23NO6
平均分子量: 301.34 g/mol
単同位体質量: 301.15253745

名称と識別子

優先名称: Methyl 2-(bis((tert-butoxy)carbonyl)amino)prop-2-enoate
IUPAC: methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]prop-2-enoate
英語名: METHYL 2-(BIS[(TERT-BUTOXY)CARBONYL]AMINO)PROP-2-ENOATE(WXG03125)
分子式: C14H23NO6
分子量: 301.34

名称と別名

201338-62-7methyl 2-{bis[(tert-butoxy)carbonyl]amino}prop-2-enoateMETHYL 2-(BIS[(TERT-BUTOXY)CARBONYL]AMINO)PROP-2-ENOATEMethyl 2-(bis((tert-butoxy)carbonyl)amino)prop-2-enoateRefChem:813642856-680-1Methyl 2-(bis(tertbutoxycarbonyl)amino)acrylateMethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]prop-2-enoateMFCD11975773METHYL 2-(BIS(TERT-BUTOXYCARBONYL)AMINO)ACRYLATE2-[Bis[(1,1-dimethylethoxy)carbonyl]amino]-,methyl ester-2-Propenoic acidmethyl 2-[bis(tert-butoxycarbonyl)amino]acrylate

名称をさらに表示

METHYL 2-(BIS[(TERT-BUTOXY)CARBONYL]AMINO)PROP-2-ENOATE(WXG03125)2-Propenoic acid, 2-[bis[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester

SCHEMBL626905XTHKWMJJDXMJHI-UHFFFAOYSA-NMethyl 2-[Bis(Boc)amino]acrylateBIA33862AKOS033813832AT24934AS-94960SY151860

データベース識別子

CAS: 201338-62-7
PubChem CID: 10870342
EC Number: 856-680-1
Nikkaji: J1.108.186J

物性

構造計算による物性

XLogP: 2.8
極性表面積: 82.1 Å²
水素結合供与体数: 0
水素結合受容体数: 6
回転可能結合数: 7
重原子数: 21
形式電荷: 0
複雑度: 413

物理化学的性質

融点: 54 · 54-55 °C
沸点: 350.4 · 350.4±44.0 °C(Predicted)
比重(密度): 1.106 · 1.106±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C, stored under nitrogen
酸解離定数(Pka): -2.97 · -2.97±0.70(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.