データを補完しています。しばらくしてからページを更新すると最新の内容を表示できます
基本情報
- CAS
236406-39-6- 標準SMILES
CC(C)(C)OC(=O)N1CCC2(CCNC2)CC1- InChIKey
MGHFVXFMQGQAKJ-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 2,8-diazaspiro(4.5)decane-8-carboxylate
- IUPAC
- tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate
- 現地名
- TERT-ブチル 2,8-ジアザスピロ[4,5]デカン-8-カルボキシレート
- 英語名
- 2,8-DIAZA-SPIRO[4.5]DECANE-8-CARBOXYLIC ACID TERT-BUTYL ESTER
- 分子式
- C13H24N2O2
- 分子量
- 240.34
名称と別名
236406-39-6tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylateDTXSID20632524tert-Butyl 2,8-diazaspiro(4.5)decane-8-carboxylateRefChem:383143DTXCID90583276823-225-38-Boc-2,8-Diazaspiro[4.5]decaneMFCD096080788-Boc-2,8-diaza-spiro[4.5]decane2,8-Diazaspiro[4.5]decane-8-carboxylic acid tert-butyl ester2,8-Diazaspiro[4.5]decane-8-carboxylic acid, 1,1-dimethylethyl ester
名称をさらに表示
TERT-ブチル 2,8-ジアザスピロ[4,5]デカン-8-カルボキシレート2,8-ジアザスピロ[4.5]デカン-8-カルボン酸TERT-ブチル2,8-Diazaspiro[4.5]decane-8-carboxylic acid tert-butyl ester - D5994D671588-Boc-2,8-diaza-spiro[4.5...8-N-Boc-2,8-diaza-spiro[4.5]decanetert-Butyl 2,8-diazaspiro[4.5]decan-8-carboxylatetert-Butyl 3,8-diazaspiro[4.5]decane-8-carboxylate2,8-Diazaspiro[4,5]decane-8-carboxylate tert-butyl ester1,1-Dimethylethyl 2,8-diazaspiro[4.5]decane-8-carboxylate
2,8-Diaza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester2,8-Diazaspiro[4.5]decane-8-carboxylicacid, 1,1-dimethylethyl esterSCHEMBL484585CS-WAA0067orb3176641MGHFVXFMQGQAKJ-UHFFFAOYSA-NAKOS005146290CS-W009182
物性
構造計算による物性補完中
- XLogP
- 1.4
- 極性表面積
- 41.6 Ų
- 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
- 288
物理化学的性質
- 沸点
- 337 · 337.0±35.0 °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)
- 11.04 · 11.04±0.20(Predicted)
- InChI
- InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-8-5-13(6-9-15)4-7-14-10-13/h14H,4-10H2,1-3H3
- InChIKey
- MGHFVXFMQGQAKJ-UHFFFAOYSA-N
- SMILES
- C1C2(CCN(C(OC(C)(C)C)=O)CC2)CCN1
化学的性質
化学的特性The molecular formula of 2,8-DIAZA-SPIRO[4.5]DECANE-8-CARBOXYLIC ACID TERT-BUTYL ESTER is C₁₃H₂₄N₂O₂, with a molecular weight of 240.34 g/mol. It is a solid powder at room temperature, with a density of approximately 1.073 g/cm³, a boiling point of around 337.0°C, and a flash point of about 157.6°C. It is generally recommended to store it sealed, protected from light, at 2-8°C to maintain its stability.
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
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]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
安全データ
- hs_code
- 29339900
- risk_code
- 36/37/38
- safety_code
- 26-36
化学と産業
サプライヤー100 社
上海策嵘生物科技有限公司[email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南京道尔顿化学技术有限公司18913360273; 15051832550 · [email protected]
河北贝克曼生物科技有限公司15961617865 15961617865 · [email protected]
上海超悦化学科技有限公司（原上海斯比德化学）21-65679720 · [email protected]
NINGBOBENKANGJS PHARMTECHCO., LTD+8615990591583 15990591583
艾琪康医药科技（上海）有限公司13661411401 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Advanced chemblocks inc650-6922368 650-6922368;650-6922368 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
関連反応
13 件
化合物ノート
読み込み中…