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(1,2,2,6-tetramethylpiperidin-4-yl) 2-hydroxy-2-phenylacetate

CAS number：100-91-4    molecular formula：C17H25NO3

overview
Specs
numbering system
physicochemical properties
Safety information
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overview

compound introduction

2-羟基-2-苯基乙酸 (1,2,2,6-四甲基-4-哌啶基) 酯是哌啶类化合物的一种。

Specs

Chinese alias-
English alias-
CAS number100-91-4molecular formulaC17H25NO3
molecular weight291.4Exact mass-
PSA49.8logp2.8

numbering system

CAS100-91-4
UNII4SPJ105W8E
ChEBI ID94371
WikidataQ27166212
ChEMBL IDCHEMBL1618660
DrugCentral3216
PubChem CID7534
Nikkaji NumberJ4.987E
NCI Thesaurus CodeC166782
DSSTox Substance IDDTXSID1048465
European Community (EC) Number202-900-0
PubChem Reference Collection SID500782747
International Nonproprietary Names (INN)EUCATROPINE

physicochemical properties

XLogP3XLogP3-AA: 2.8
Complexity363
Exact Mass291.18344366
Formal Charge0
Heavy Atom Count21
Molecular Weight291.4
Monoisotopic Mass291.18344366
Isotope Atom Count0
Rotatable Bond Count4
Kovats Retention IndexStandard non-polar: 2026
Collision Cross Section165.11 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Hydrogen Bond Donor Count1
Covalently-Bonded Unit Count1
Hydrogen Bond Acceptor Count4
Topological Polar Surface Area49.8 Ų
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Atom Stereocenter Count3
Undefined Bond Stereocenter Count0

Safety information

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MSDS

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