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  • 1,2-Piperidinedicarboxylicacid, 4-hydroxy-, 1-(1,1-dimethylethyl) 2-methyl ester, (2R,4S)
Name:1,2-Piperidinedicarboxylicacid, 4-hydroxy-, 1-(1,1-dimethylethyl) 2-methyl ester, (2R,4S)
CAS No:321744-26-7

PRODUCT DESCRIPTION

【Name】
1,2-Piperidinedicarboxylicacid, 4-hydroxy-, 1-(1,1-dimethylethyl) 2-methyl ester, (2R,4S)-
【Iupac name】
1-O-tert-butyl 2-O-methyl (2R,4S)-4-hydroxypiperidine-1,2-dicarboxylate
【CAS Registry number】
321744-26-7
【Synonyms】
1-tert-butyl 2-methyl (2R,4S)-4-hydroxypiperidine-1,2-dicarboxylate
【Molecular Formula】
C12H21NO5 (Products with the same molecular formula)
【Molecular Weight】
259.30
【Inchi】
InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-6-5-8(14)7-9(13)10(15)17-4/h8-9,14H,5-7H2,1-4H3/t8-,9+/m0/s1
【Canonical SMILES】
CC(C)(C)OC(=O)N1CCC(CC1C(=O)OC)O
【Isomers smiles】
CC(C)(C)OC(=O)N1CC[C@@H](C[C@@H]1C(=O)OC)O
【MOL File】
321744-26-7.mol

Chemical and Physical Properties

【Appearance】
Colorless to amber viscous liquid or waxy mass
【Density】
1.182 g/cm3
【Boiling Point】
352.1 °C at 760 mmHg
【Flash Point】
166.8 °C
【Storage temp】
Refrigerator (+4°C)
【Computed Properties】
Molecular Weight:259.29884 [g/mol]
Molecular Formula:C12H21NO5
XLogP3-AA:0.9
H-Bond Donor:1
H-Bond Acceptor:5
Rotatable Bond Count:4
Exact Mass:259.141973
MonoIsotopic Mass:259.141973
Topological Polar Surface Area:76.1
Heavy Atom Count:18
Formal Charge:0
Complexity:323
Isotope Atom Count:0
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:6.2
Conformer Sampling RMSD:0.8
CID Conformer Count:28

Safety and Handling

【Safety Statements 】
24/25

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