CAS 15448-77-8 4-(Methoxycarbonyl)bicyclo(2.2.1)heptane-1-carboxylic acid (HCID 13761774)

基本情報

CAS: 15448-77-8
標準SMILES: COC(=O)C12CCC(C(=O)O)(CC1)C2
InChIKey: KVIKABYOBCHKNX-UHFFFAOYSA-N
分子式: C10H14O4
平均分子量: 198.22 g/mol

名称と識別子

優先名称: 4-(Methoxycarbonyl)bicyclo(2.2.1)heptane-1-carboxylic acid
IUPAC: 4-methoxycarbonylbicyclo[2.2.1]heptane-1-carboxylic acid
現地名: 4-(メトキシカルボニル)ビシクロ[2.2.1]ヘプタン-1-カルボン酸
英語名: 4-(Methoxycarbonyl)bicyclo[2.2.1]heptane-1-carboxylicacid
分子式: C10H14O4
分子量: 198.22

名称と別名

4-(Methoxycarbonyl)bicyclo[2.2.1]heptane-1-carboxylic acid4-(Methoxycarbonyl)bicyclo(2.2.1)heptane-1-carboxylic acidRefChem:516257835-110-515448-77-8MFCD20638750Bicyclo[2.2.1]heptane-1,4-dicarboxylic acid, monomethyl ester4-methoxycarbonylbicyclo[2.2.1]heptane-1-carboxylic acidSCHEMBL15360774-(Methoxycarbonyl)bicyclo[2.2.1]heptane-1-carboxylicacidSCHEMBL16875558AKOS022645828

名称をさらに表示

4-(メトキシカルボニル)ビシクロ[2.2.1]ヘプタン-1-カルボン酸1-Methyl bicyclo[2.2.1]heptane-1,4-dicarboxylate4-methoxycarbonylbicyclo[2.2.1]heptane-1-carboxylate4-carbomethoxybicycloheptane-1-carboxylic acidBicyclo[2.2.1]heptane-1,4-dicarboxylic acid, 1-methyl ester

SB15501AS-51499SY120854EN300-178310P12806A900971KVIKABYOBCHKNX-UHFFFAOYSA-NQAA44877

データベース識別子

CAS: 15448-77-8
PubChem CID: 13761774
EC Number: 835-110-5

物性

構造計算による物性

XLogP: 0.6
極性表面積: 63.6 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 14
形式電荷: 0
複雑度: 286

物理化学的性質

融点: 105 · 105-107 °C
沸点: 305.7 · 305.7±25.0 °C(Predicted)
比重(密度): 1.37 · 1.370±0.06 g/cm3(Predicted)
貯蔵温度: Store at room temperature
酸解離定数(Pka): 4.5 · 4.50±0.10(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

hs_code: 2917200090

化学と産業

応用分野

使用4-(Methoxycarbonyl)bicyclo[2.2.1]heptane-1-carboxylic Acid (CAS# 15448-77-8) is a reagent having SIRT6 activating effect, and is used for treating peripheral inflammatory disease.