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基本信息
- CAS
417726-36-4- 标准SMILES
CC(C)(C)OC(=O)N1CC=CC[C@H]1C(=O)O- InChIKey
SSYLTDCVONDKNS-QMMMGPOBSA-N- 分子式
- C11H17NO4
- 平均分子量
- 227.26 g/mol
- 单同位素质量
- 227.11575802
名称与标识
- 首选名称
- (S)-N-Boc-1,2,3,6-tetrahydro-2-pyridinecarboxylic acid
- IUPAC
- (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-2-carboxylic acid
- 中文名
- (S)-N-BOC-1,2,3,6-四氢-2-吡啶羧酸
- 英文名
- (S)-N-Boc-1,2,3,6-Tetrahydro-2-picolinic acid
- 分子式
- C11H17NO4
- 分子量
- 227.26
名称与别名
(S)-N-Boc-1,2,3,6-tetrahydro-2-pyridinecarboxylic acidRefChem:408193625-858-9417726-36-4(S)-1-(tert-butoxycarbonyl)-1,2,3,6-tetrahydropyridine-2-carboxylic acid(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-2-carboxylic Acid(2S)-1-(tert-butoxycarbonyl)-1,2,3,6-tetrahydropyridine-2-carboxylic acid(S)-N-Boc-1,2,3,6-Tetrahydro-2-picolinic acidstarbld0019051(2S)-1-[(tert-butoxy)carbonyl]-1,2,3,6-tetrahydropyridine-2-carboxylic acidSCHEMBL610128DTXSID00463752
展开更多名称
(S)-N-BOC-1,2,3,6-四氢-2-吡啶甲酸(S)-N-BOC-1,2,3,6-四氢-2-吡啶羧酸(S)-1-(叔丁氧基羰基)-1,2,3,6-四氢吡啶-2-羧酸TB-1764(S)-1-Boc-3,6-dihydro-2H-pyridine-2-carboxylic acid1,2(2H)-Pyridinedicarboxylic acid, 3,6-dihydro-, 1-(1,1-dimethylethyl) ester, (2S)-
SSYLTDCVONDKNS-QMMMGPOBSA-NAT52341(S)-N-Boc-1,2,3,6-tetrahydro-2-pyridinecarboxylic acid, >=98.0% (HPLC)(2S)-1-{[(1,1-dimethylethyl)oxy]carbonyl}-1,2,3,6-tetrahydro-2-pyridinecarboxylic acid
性质
结构计算性质补全中
- XLogP
- 1.4
- 极性表面积
- 66.8 Ų
- 氢键供体
- 1
- 氢键受体
- 4
- 可旋转键
- 3
- 重原子
- 16
- 形式电荷
- 0
- 复杂度
- 316
物理化学性质
- 形态
- solid
- 旋光度 (Optical Rotation)
- -4 · [α]/D -4.0±2.0°, c = 1 in methylene chloride
- BRN
- 9049382 · 9049382
- InChI
- 1S/C11H17NO4/c1-11(2,3)16-10(15)12-7-5-4-6-8(12)9(13)14/h4-5,8H,6-7H2,1-3H3,(H,13,14)/t8-/m0/s1
- InChIKey
- SSYLTDCVONDKNS-QMMMGPOBSA-N
- SMILES
- CC(C)(C)OC(=O)N1CC=CC[C@H]1C(O)=O
安全与法规
安全信息仅供参考，不能替代供应商安全技术说明书（SDS）、适用法规与专业评估。
GHS分类
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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危害信息
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
安全数据
- wgk
- 3
- 存储类别
- 11 - Combustible Solids
- 安全说明
- 26
- 危险品标志
- Xi
- 危险性类别
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 危险类别码
- 36/37/38
化学与工业
供应商5 家
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 13651849907 · [email protected]
上海腾渤医药科技有限公司021-54338626 18017892860 · [email protected]
相关反应
4 条
化合物笔记
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