基本情報
- CAS
937729-06-1- 標準SMILES
CC(C)(C)OC(=O)N1CCC2(CCCN2)CC1- InChIKey
UZPDXRXHTUSGLN-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 1,8-diazaspiro(4.5)decane-8-carboxylate
- IUPAC
- tert-butyl 1,8-diazaspiro[4.5]decane-8-carboxylate
- 現地名
- TERT-ブチル 1,8-ジアザスピロ[4.5]デカン-8-カルボキシレート
- 英語名
- 1,8-Diazaspiro[4.5]decane-8-carboxylic acid, 1,1-dimethylethyl ester
- 分子式
- C13H24N2O2
- 分子量
- 240.34
名称と別名
937729-06-1tert-butyl 1,8-diazaspiro[4.5]decane-8-carboxylateDTXSID20649117tert-Butyl 1,8-diazaspiro(4.5)decane-8-carboxylateRefChem:383096DTXCID40599867829-411-08-Boc-1,8-Diaza-spiro[4.5]decane1,8-Diazaspiro[4.5]decane-8-carboxylic acid tert-butyl ester8-Boc-1,8-diazaspiro[4.5]decaneMFCD115011871,8-DIAZASPIRO[4.5]DECANE-8-CARBOXYLIC ACID,1,1-DIMETHYLETHYL ESTER
名称をさらに表示
TERT-ブチル 1,8-ジアザスピロ[4.5]デカン-8-カルボキシレート8-Boc-1,8-diazaspiro[4.5]...8-boc-1,8-diazospolar [4.5] decane1,8-Diazaspiro[4.5]decane-8-carboxylic acidtert-Butyl 1,8-diazaspiro[4.5]decane-8-carboxylate 95+%1,1-Dimethylethyl 1,8-diazaspiro[4.5]decane-8-carboxylatetert-Butyl 1,8-diazaspiro[4.5]decane-8-carboxylate oxalate1,8-Diazaspiro[4.5]decane-8-carboxylic acid,1,1-diMethylethy...
1,8-Diaza-spiro[4.5]decane-8-carboxylic acid tert-butyl esterSCHEMBL15777202UZPDXRXHTUSGLN-UHFFFAOYSA-N1,8-Diazaspiro[4.5]decane-8-carboxylic acid, 1,1-dimethylethyl esterAKOS015950402CS-W009183DS-7678PB22500
物性
構造計算による物性
- XLogP
- 1.5
- 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 · under inert gas (nitrogen or Argon) at 2–8 °C
- 酸解離定数(Pka)
- 10.74 · 10.74±0.20(Predicted)
- InChI
- InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-9-6-13(7-10-15)5-4-8-14-13/h14H,4-10H2,1-3H3
- InChIKey
- UZPDXRXHTUSGLN-UHFFFAOYSA-N
- SMILES
- N1C2(CCN(C(OC(C)(C)C)=O)CC2)CCC1
安全と法規制
GHS分類
GHS Classification
Warning
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, 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%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
安全データ
- hs_code
- 2933998090
化学と産業
応用分野
使用1,8-Diazaspiro[4.5]decane is a spiro bicyclic diamine compound recognized as a primarily structural component 1,8-Diazaspiro[4.5]decane-8-carboxylic acid, 1,1-dimethylethyl ester. This spirocyclic derivative often serves as a key intermediate in medicinal chemistry.
上流・下流製品情報
下流製品
サプライヤー85 社
南京优氟医药科技有限公司025-86755008 17751752005 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]
艾琪康医药科技（上海）有限公司13661411401 · [email protected]
関連反応
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化合物ノート
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