Tert-butyl 6,9-diazaspiro[4.5]decane-6-carboxylate

HCID 68089093

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 886766-40-1
標準SMILES: CC(C)(C)OC(=O)N1CCNCC12CCCC2
InChIKey: ZFRIOZGQSDKGRT-UHFFFAOYSA-N
分子式: C13H24N2O2
平均分子量: 240.34 g/mol
単同位体質量: 240.18377801

名称と識別子

優先名称: Tert-butyl 6,9-diazaspiro[4.5]decane-6-carboxylate
IUPAC: tert-butyl 6,9-diazaspiro[4.5]decane-6-carboxylate
英語名: Tert-butyl 6,9-diazaspiro[4.5]decane-6-carboxylate
分子式: C13H24N2O2
分子量: 240.34

名称と別名

886766-40-1TERT-BUTYL 6,9-DIAZASPIRO[4.5]DECANE-6-CARBOXYLATEtert-butyl 6,9-diazaspiro(4.5)decane-6-carboxylateRefChem:894284102-025-36,9-DIAZA-SPIRO[4.5]DECANE-6-CARBOXYLIC ACID TERT-BUTYL ESTER6,9-Diazaspiro[4.5]decane-6-carboxylic acid, 1,1-dimethylethyl esterMFCD08685936SCHEMBL10277023ZFRIOZGQSDKGRT-UHFFFAOYSA-N6-Boc-6,9-diazaspiro[4.5]decaneAB46151

名称をさらに表示

SY292568DB-160393CS-0030288G79631F601540TERT-BUTYL6,9-DIAZASPIRO[4.5]DECANE-6-CARBOXYLATE

データベース識別子

CAS: 886766-40-1
PubChem CID: 68089093
EC Number: 102-025-3

物性

構造計算による物性

XLogP: 1.5
極性表面積: 41.6 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 17
形式電荷: 0
複雑度: 290

物理化学的性質

沸点: 337 · 337.0±17.0 °C(Predicted)
比重(密度): 1.07 · 1.07±0.1 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C, protect from light
酸解離定数(Pka): 10.09 · 10.09±0.20(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+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 CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

化学と産業

応用分野

説明Tert-butyl 6,9-diazaspiro[4.5]decane-6-carboxylate is a key intermediate in the synthesis of inhibitors of the renal extra-medullary potassium channel (ROMK), also known as the Kir1.1 channel.

サプライヤー21 社

奥夫仑医药（四川）有限公司17336178085 · [email protected]

上海科斯克尔医药科技有限公司00000000 15021108835 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]

Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]

化合物ノート

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