基本情報
- CAS
142247-38-9- 標準SMILES
CC(C)(C)OC(=O)N1CCC(CCCC(=O)O)CC1- InChIKey
OAFRZYWOCMCWMM-UHFFFAOYSA-N- 分子式
- C14H25NO4
- 平均分子量
- 271.35 g/mol
- 単同位体質量
- 271.17835828
名称と識別子
- 優先名称
- 4-(1-((Tert-butoxy)carbonyl)piperidin-4-yl)butanoic acid
- IUPAC
- 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butanoic acid
- 英語名
- N-Boc-(4-piperidin-4-yl)butyric acid
- 分子式
- C14H25NO4
- 分子量
- 271.35
名称と別名
4-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}butanoic acid4-(1-((Tert-butoxy)carbonyl)piperidin-4-yl)butanoic acidRefChem:510224675-750-0142247-38-94-(1-(tert-butoxycarbonyl)piperidin-4-yl)butanoic acidN-Boc-(4-piperidin-4-yl)butyric acidN-BOC-4-PIPERIDINEBUTANOIC ACID4-(1-boc-piperidin-4-yl)butanoic acidN-Boc-4-Piperidin-4-yl-butyric acid1-boc-4-(3-carboxy-propyl)-piperidine4-PIPERIDINEBUTANOIC ACID, 1-[(1,1-DIMETHYLETHOXY)CARBONYL]-
名称をさらに表示
N-BOC-piperidine-4-butanoic acid1-N-BOC-4-Piperidinebutanoic acid4-(N-Boc-4-piperidinyl)butanoic acid
MFCD041149654-(1-boc-piperidine-4-yl)-butanoic acid1-Boc-4-piperidinebutanoic acid4-(1-tert-butoxycarbonyl-4-piperidyl)butanoic acid4-(3-carboxy-propyl)-piperidine-1-carboxylic acid tert-butyl ester4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butanoic acid4-[1-(tert-butoxycarbonyl)piperidin-4-yl]butanoic acid4-(1-boc-piperidin-4-yl)-butanoic acid
データベース識別子
- CAS
142247-38-9- PubChem CID
- 10400987
- DTXSID
DTXSID30439344- EC Number
- 675-750-0
物性
構造計算による物性
- XLogP
- 2.3
- 極性表面積
- 66.8 Ų
- 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
- 6
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 314
物理化学的性質
- 沸点
- 399.7 · 399.7±15.0 °C(Predicted)
- 比重(密度)
- 1.085 · 1.085±0.06 g/cm3(Predicted)
- 貯蔵温度
- 2 · Sealed in dry,2-8°C
- 酸解離定数(Pka)
- 4.82 · 4.82±0.10(Predicted)
- 外見
- solid
- InChI
- 1S/C14H25NO4/c1-14(2,3)19-13(18)15-9-7-11(8-10-15)5-4-6-12(16)17/h11H,4-10H2,1-3H3,(H,16,17)
- InChIKey
- OAFRZYWOCMCWMM-UHFFFAOYSA-N
- SMILES
- O=C(OC(C)(C)C)N1CCC(CCCC(O)=O)CC1
化学的性質
化学的特性White powder
安全と法規制
GHS分類
GHS Classification
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)
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.
危険有害性情報
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
安全データ
- hs_code
- 29333990
- hazard_class
- IRRITANT
- Hazard Classifications
- Acute Tox. 4 Oral
- ストレージクラス
- 11 - Combustible Solids
化学と産業
上流・下流製品情報
上流原料
サプライヤー80 社
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Aladdin Scientific[email protected]
成都蓝蜻蜓生物技术有限公司028-87856149; 15208320722 · [email protected]
関連反応
4 件
化合物ノート
読み込み中…