4-(2-氨基吡啶-3-基氨基)哌啶-1-羧酸叔丁酯

tert-Butyl 4-[(2-aminopyridin-3-yl)amino]piperidine-1-carboxylate

HCID 22293217CAS 781649-86-3

子结构检索查找相似结构

基本信息

标准SMILES: CC(C)(C)OC(=O)N1CCC(Nc2cccnc2N)CC1
InChIKey: NRYFFLQIEZSPBO-UHFFFAOYSA-N
分子式: C15H24N4O2
平均分子量: 292.38 g/mol
单同位素质量: 292.18992601

名称与标识

首选名称: tert-Butyl 4-[(2-aminopyridin-3-yl)amino]piperidine-1-carboxylate
IUPAC: tert-butyl 4-[(2-amino-3-pyridinyl)amino]piperidine-1-carboxylate
中文名: 4-(2-氨基吡啶-3-基氨基)哌啶-1-羧酸叔丁酯
英文名: 1-Piperidinecarboxylic acid, 4-[(2-aMino-3-pyridinyl)aMino]-, 1,1-diMethylethyl ester
分子式: C15H24N4O2
分子量: 292.38

名称与别名

781649-86-3tert-Butyl 4-((2-aminopyridin-3-yl)amino)piperidine-1-carboxylatetert-butyl 4-[(2-aminopyridin-3-yl)amino]piperidine-1-carboxylateDTXSID00624482RefChem:893908DTXCID70575235616-592-4MFCD131847801-Piperidinecarboxylic acid, 4-[(2-aMino-3-pyridinyl)aMino]-, 1,1-diMethylethyl estertert-butyl 4-(2-aminopyridin-3-ylamino)piperidine-1-carboxylate2-Amino-3-[(1-t-butoxycarbonylpiperidin-4-yl)amino)pyridine2-amino-3-[(1-t-butoxycarbonylpiperidin-4-yl)amino]pyridine

展开更多名称

瑞美吉泮杂质35瑞美吉泮杂质114-(2-氨基吡啶-3-基氨基)哌啶-1-羧酸叔丁酯Rimegepant Impurity 112-Pyridinecarboxamide, N-(1,3-diphenyl-1H-pyrazol-5-yl)-2-Amino-3-[[1-(tert-butoxycarbonyl)piperidin-4-yl]amino]pyridine1-(1-((((5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)oxy)carbonyl)piperidin-4-yl)-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridine 1-oxide

2-Amino-3-[(1-tert-butoxycarbonylpiperidin-4-yl)amino)pyridine2-amino-3-[(1-tert-butoxycarbonylpiperidin-4-yl)amino]pyridineRimegepant Impurity 35743JAQ2WE9SCHEMBL1198309SCHEMBL30006703NRYFFLQIEZSPBO-UHFFFAOYSA-NALBB-034365

数据库标识

CAS: 781649-86-3
PubChem CID: 22293217
DTXSID: DTXSID00624482
UNII: 743JAQ2WE9
EC Number: 616-592-4

性质

结构计算性质

XLogP: 1.9
极性表面积: 80.5 Å²
氢键供体: 2
氢键受体: 5
可旋转键: 4
重原子: 21
形式电荷: 0
复杂度: 348

物理化学性质

沸点: 454.2 · 454.2±45.0 °C(Predicted)
密度: 1.192 · 1.192±0.06 g/cm3(Predicted)
储存条件: 2 · 2-8°C
酸度系数(pKa): 6.69 · 6.69±0.36(Predicted)
外观: White to off-white Solid

安全与法规

GHS分类

GHS Classification · 4 条

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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.

危害信息

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全数据

海关编码: 2933399990

化学与工业

供应商34 家

上海美律医药科技有限公司+86-53530655; +8613916485955 · [email protected]

广州佳途科技股份有限公司81960175 18933936954 · [email protected]

北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]

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