基本情報
- CAS
888323-62-4- 標準SMILES
CC(C)(C)OC(=O)NC(CC1CC1)C(=O)O- InChIKey
GKRRTFCDSZGFSZ-UHFFFAOYSA-N- 分子式
- C11H19NO4
- 平均分子量
- 229.27 g/mol
- 単同位体質量
- 229.13140809
名称と識別子
- 優先名称
- 2-(((Tert-butoxy)carbonyl)amino)-3-cyclopropylpropanoic acid
- IUPAC
- 3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
- 英語名
- N-Boc-cyclopropyl-DL-alanine
- 分子式
- C11H19NO4
- 分子量
- 229.27
名称と別名
2-{[(tert-butoxy)carbonyl]amino}-3-cyclopropylpropanoic acid2-(((Tert-butoxy)carbonyl)amino)-3-cyclopropylpropanoic acidRefChem:447130675-900-5888323-62-4N-Boc-cyclopropyl alanine2-((tert-Butoxycarbonyl)amino)-3-cyclopropylpropanoic acidN-BOC-CYCLOPROPYL-DL-ALANINEboc-3-cyclopropylalanineDL-Boc-cyclopopylalanineMFCD080612393-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid
名称をさらに表示
N-(tert-butoxycarbonyl)-3-cyclopropylalanine2-(tert-butoxycarbonylaMino)-3-cyclopropylpropanoic acid2-(1-(tert-butoxycarbonyl)cyclopropylamino)propanoic acid2-{[(tert-butoxy)carbonyl](cyclopropyl)amino}propanoic acidCyclopropanepropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-
BOC-L-Cyclopropylalanine(2R)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acidref dupl: n-boc-cyclopropyl alanineboc-l-ala(3-cyclopropyl)DL-Boc-3-CyclopropylalanineSCHEMBL956167(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-cyclopropylpropanoic acidN-Boc-RS-3-Cyclopropylalanine
データベース識別子
- CAS
888323-62-4、89483-08-9- PubChem CID
- 4712522
- DTXSID
DTXSID90405727- EC Number
- 182-998-9、675-900-5
物性
構造計算による物性
- XLogP
- 2
- 極性表面積
- 75.6 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 6
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 278
物理化学的性質
- 沸点
- 377.2 · 377.2±25.0 °C(Predicted)
- 比重(密度)
- 1.162 · 1.162±0.06 g/cm3(Predicted)
- 貯蔵温度
- Store at room temperature
- 酸解離定数(Pka)
- 4 · 4.00±0.10(Predicted)
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)
Aggregated GHS information provided per 3 reports by companies from 3 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 Categories
Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
安全データ
- hs_code
- 2922498590
化学と産業
サプライヤー38 社
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海沸柏化工科技有限公司021-58955608,2250286 15921236618 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
Chongqing jooe co., ltd+86-15223382610 · [email protected]
上海美升医药科技有限公司18501708306; 18501708306 · [email protected]
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
成都赛诺宁科技有限公司28-87999436 02887999436 · [email protected]
関連反応
5 件
化合物ノート
読み込み中…