HCID70673933

Benzyl (2S,5R)-5-((benzyloxy)amino)piperidine-2-carboxylate oxalate

benzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate;oxalic acid

C22H26N2O7430.5 g/molCAS 1171080-45-7

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IDENTITY

结构与身份

标准SMILES: O=C(O)C(=O)O.O=C(OCc1ccccc1)[C@@H]1CC[C@@H](NOCc2ccccc2)CN1
InChIKey: AMOSSTKBTVKFNW-VOMIJIAVSA-N
分子式: C22H26N2O7
平均分子量: 430.5 g/mol
单同位素质量: 430.17400117

COMPUTED

结构计算性质

已同步

极性表面积: 134 Å²
氢键供体: 4
氢键受体: 9
可旋转键: 9
重原子: 31
形式电荷: 0
复杂度: 464

GHS

GHS分类

来源：PubChem

GHS Classification

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H411 (25%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264+P265, P273, P280, P305+P354+P338, P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 2 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.

HAZARDS

危害信息

来源：PubChem

Regulatory Information

Status: Active Update: 24-01-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18945

Hazard Classes and Categories

Eye Dam. 1 (100%)；Aquatic Chronic 2 (25%)

REGULATORY

法规信息

来源：PubChem

Regulatory Information

Status: Active Update: 24-01-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18945

ALIASES

名称与别名

共 25 条

2-Piperidinecarboxylic acid, 5-[(phenylmethoxy)amino]-, phenylmethyl ester, (2S,5R)-, ethanedioate (1:1)BENZYL (2S,5R)-5-((BENZYLOXY)AMINO)PIPERIDINE-2-CARBOXYLATE OXALATE2-Piperidinecarboxylic acid, 5-((phenylmethoxy)amino)-, phenylmethyl ester, (2S,5R)-, ethanedioate (1:1)RefChem:566529810-636-81171080-45-7(2S,5R)-Benzyl 5-((benzyloxy)amino)piperidine-2-carboxylate oxalateMFCD29472311benzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate;oxalic acidbenzyl (2S,5R)-5-[(benzyloxy)amino]piperidine-2-carboxylate ethanedioate(2S,5R)-5-benzyloxyaminopiperidin-2-carboxylic acid benzyl ester oxalic acid saltSCHEMBL15309424EX-A2293BAMOSSTKBTVKFNW-VOMIJIAVSA-NDTXSID701378982CS-M3164AKOS030524181AT10876DS-19729SY395531

REACTIONS