4-氨基-1-哌啶甲酸乙酯

Ethyl 4-amino-1-piperidinecarboxylate

HCID 100867CAS 58859-46-4

子结构检索查找相似结构

基本信息

标准SMILES: CCOC(=O)N1CCC(N)CC1
InChIKey: GQQQULCEHJQUJT-UHFFFAOYSA-N
分子式: C8H16N2O2
平均分子量: 172.22 g/mol
单同位素质量: 172.12117775

名称与标识

首选名称: Ethyl 4-amino-1-piperidinecarboxylate
IUPAC: ethyl 4-aminopiperidine-1-carboxylate
中文名: 4-氨基-1-哌啶甲酸乙酯
英文名: Ethyl 4-amino-1-piperidinecarboxylate
分子式: C8H16N2O2
分子量: 172.22

名称与别名

Ethyl 4-aminopiperidine-1-carboxylateEthyl 4-amino-1-piperidinecarboxylateUNII-54815SRP4Z54815SRP4ZEINECS 261-472-3DTXSID802075701-(ethoxycarbonyl)-4-aminopiperidineRefChem:138748DTXCID30130061GQQQULCEHJQUJT-UHFFFAOYSA-NInChI=1/C8H16N2O2/c1-2-12-8(11)10-5-3-7(9)4-6-10/h7H,2-6,9H2,1H58859-46-4

展开更多名称

多潘立酮杂质26多潘立酮杂质N84-氨基哌啶-1-羧酸乙酯4-胺基-1-哌啶甲酸乙酯N-乙氧羰基-4-氨基哌啶4-氨基-N-哌啶甲酸乙酯4-氨基-1-哌啶甲基乙酯4-氨基-1-哌啶甲酸乙酯4-氨基-1-哌啶羧酸乙酯4-氨基哌啶-1-甲酸乙酯TIMTEC-BB SBB003834Domperidone Impurity N81-Carbethoxy-4-piperidinamineN-Carbethoxy-4-AminopipridineN-CARBETHOXY-4-AMINOPIPERIDINE1-Carbethoxy-4-aminopiperidineN-CARBETHOXY-4-AMINO-PIPERIDONE

1-Piperidinecarboxylic acid, 4-amino-, ethyl ester4-amino-1-carbethoxypiperidineMFCD00006484N-Carbethoxy-4-Amino PiperidineDomperidone Impurity 26ethyl 4-aminopiperidinecarboxylateethyl-4-amino-1-piperidine carboxylateethyl-4-amino- 1-piperidine carboxylate

数据库标识

CAS: 58859-46-4
PubChem CID: 100867
DTXSID: DTXSID80207570
UNII: 54815SRP4Z
EC Number: 261-472-3
Nikkaji: J267.376B

性质

结构计算性质

XLogP: 0.1
极性表面积: 55.6 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 2
重原子: 12
形式电荷: 0
复杂度: 153

物理化学性质

沸点: 118 · 118-120 °C (5 mmHg)
密度: 1.004 g/mL · 1.004 g/mL at 25 °C (lit.)
折射率: 20 · n20/D 1.483(lit.)
闪点: 173 °F · 173 °F
储存条件: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
溶解度: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
酸度系数(pKa): 10.09 · 10.09±0.20(Predicted)
形态: Oil
颜色: Clear Colourless
水溶解性: 500 g/L · >500 g/L (20 ºC)
敏感性: Air Sensitive
BRN: 388597 · 388597
InChI: 1S/C8H16N2O2/c1-2-12-8(11)10-5-3-7(9)4-6-10/h7H,2-6,9H2,1H3
InChIKey: GQQQULCEHJQUJT-UHFFFAOYSA-N
SMILES: CCOC(=O)N1CCC(N)CC1
CAS 数据库: 58859 · 58859-46-4(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 4 条

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.